data_2kqu_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 2kqu _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 ' 2' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.462 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -174.92 70.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.155 . . . . 0.0 109.389 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.562 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -80.49 148.53 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.372 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.56 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -137.13 168.95 24.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.09 116.47 18.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.392 0.701 . . . . 0.0 109.318 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.611 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 8.0 m-85 -125.72 125.03 42.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.718 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -128.85 179.85 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 7.2 p -55.34 -38.31 47.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.87 -32.35 31.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -72.27 -47.37 50.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.546 ' CG2' HD12 ' A' ' 156' ' ' ILE . 1.7 mp -58.89 -56.36 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.524 HD12 ' CG2' ' A' ' 160' ' ' VAL . 2.3 tp -55.75 -36.76 44.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' CG ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -62.92 -44.69 95.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.35 -18.91 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.579 ' CG ' HD11 ' A' ' 156' ' ' ILE . 59.0 mm-40 -77.64 -49.74 13.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 4' ' ' ILE . 2.3 m-85 -53.15 -19.05 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 1.088 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.35 -71.38 2.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -59.54 -155.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.239 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -112.93 -7.74 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -48.29 100.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 HG23 ' CG ' ' A' ' 23' ' ' ARG . 55.8 t -154.64 86.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.56 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 62.3 p -114.4 99.55 7.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.401 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.17 166.25 11.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.718 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -77.41 0.47 22.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.658 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' HIS . 3.7 m-20 -38.79 -31.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' HIS . 13.8 p -86.35 47.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -54.31 -19.0 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.968 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -5.44 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.264 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.83 -171.52 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -101.8 161.85 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.177 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.534 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 11.3 p -65.25 -11.86 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.177 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.429 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 12.6 t -57.41 -26.99 61.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.555 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -55.09 -53.28 57.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 2.5 pp -75.89 -22.94 55.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.494 ' OD1' ' CG1' ' A' ' 76' ' ' VAL . 58.8 t30 -64.07 -30.76 71.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.19 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 6.6 m-20 -70.16 -37.77 75.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.666 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.83 147.93 22.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.471 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -107.87 36.28 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.252 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.471 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -154.66 113.61 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.567 HD13 ' CE1' ' A' ' 7' ' ' PHE . 3.9 mm? -139.75 164.01 31.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.448 HD13 ' CG2' ' A' ' 4' ' ' ILE . 2.7 mp -121.43 138.91 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.53 HG13 ' CD1' ' A' ' 85' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.197 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -51.74 -27.26 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.89 -22.05 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.41 -51.48 5.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.534 ' CG2' ' CG2' ' A' ' 41' ' ' VAL . 86.3 t -40.41 153.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 109.295 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -84.61 50.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.602 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 2.2 m-30 -51.92 139.45 22.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -137.14 128.29 27.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 37.68 70.54 0.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.632 ' HZ1' ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -129.85 170.91 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.731 ' CD1' ' CE1' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -102.51 134.41 45.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.573 1.17 . . . . 0.0 109.296 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.632 ' CG2' ' HZ1' ' A' ' 81' ' ' LYS . 7.0 t -135.29 114.68 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.512 ' HA ' ' CG2' ' A' ' 117' ' ' VAL . . . -102.15 123.21 45.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.53 ' CD1' HG13 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -97.07 154.98 17.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' A' ' 109' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.426 ' CB ' HG23 ' A' ' 116' ' ' THR . 99.6 p -48.23 -45.71 34.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -86.1 -18.8 31.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.418 ' CB ' ' HA ' ' A' ' 109' ' ' ILE . 0.4 OUTLIER -58.98 -56.6 20.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.233 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . 178.21 111.81 0.31 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.35 -163.13 27.54 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 150.39 51.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 0.805 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.426 HG23 ' CB ' ' A' ' 110' ' ' SER . 17.9 p -126.71 131.76 51.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.406 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' A' ' 84' ' ' ALA . 12.4 m -115.74 156.94 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -54.34 34.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.579 HD11 ' CG ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -52.24 -45.03 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.498 ' HG2' ' CD ' ' A' ' 25' ' ' GLU . 15.5 mtpt -61.19 -30.96 70.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.24 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -70.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 110.085 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.563 ' CH2' HD12 ' A' ' 163' ' ' LEU . 30.1 t90 -42.99 -52.3 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 108.076 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.527 ' CG2' ' HB3' ' A' ' 25' ' ' GLU . 45.4 t -51.62 -51.73 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.299 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.42 63.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -67.03 -48.18 69.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.563 HD12 ' CH2' ' A' ' 159' ' ' TRP . 0.4 OUTLIER -63.03 -53.6 51.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.473 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -59.02 -31.26 68.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -68.27 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.955 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.469 ' CG ' HG11 ' A' ' 117' ' ' VAL . 0.1 OUTLIER -60.66 -56.16 24.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.731 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 10.6 m-30 -37.41 -58.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . 5.0 mtpp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.584 ' CE ' ' CZ ' ' A' ' 47' ' ' TYR . 10.0 tttp -174.93 55.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.48 ' CG2' HD11 ' A' ' 51' ' ' ILE . 1.9 mt -73.21 135.59 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.201 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.526 ' CA ' ' OG1' ' A' ' 32' ' ' THR . . . -139.1 166.47 25.43 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.555 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -114.6 116.72 29.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.589 0.817 . . . . 0.0 109.287 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.631 ' CD2' ' CD2' ' A' ' 44' ' ' LEU . 5.9 m-85 -119.15 114.71 22.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -123.81 179.91 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.076 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.16 . . . . 0.0 111.054 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.43 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 11.9 m -55.35 -36.64 41.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.7 -31.23 25.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -47.53 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.8 mp -59.16 -56.38 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.477 HD12 ' CZ3' ' A' ' 159' ' ' TRP . 2.2 tp -54.91 -39.55 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 16.0 ttp180 -59.72 -54.26 48.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 110.223 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.25 -18.31 64.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 160' ' ' VAL . 1.2 mm-40 -77.9 -50.02 13.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.476 ' CE2' HD13 ' A' ' 22' ' ' ILE . 3.1 m-85 -53.63 -53.42 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . 93.54 -73.39 1.23 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.578 1.173 . . . . 0.0 111.095 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.471 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 2.4 m-20 -38.64 152.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 0.718 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -48.04 -26.38 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 28' ' ' ASN . 4.5 m -48.26 101.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 23' ' ' ARG . 73.1 t -153.65 81.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.526 ' OG1' ' CA ' ' A' ' 5' ' ' GLY . 17.7 p -125.69 164.67 20.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.466 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.514 ' CD2' ' C ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -165.1 168.12 17.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.511 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 1.4 p-80 -63.06 -13.43 35.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -39.97 -30.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' OD2' ' A' ' 43' ' ' ASP . 30.8 m -80.55 53.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -69.69 -7.45 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -27.15 63.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.92 -171.61 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -105.09 -170.42 1.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 10.2 m -65.3 -11.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.179 . . . . 0.0 109.26 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.6 t -61.25 -28.17 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.354 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.564 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -55.16 -53.67 53.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.631 ' CD2' ' CD2' ' A' ' 7' ' ' PHE . 3.8 pp -74.82 -40.12 61.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.445 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 59.9 t30 -47.41 -31.16 3.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.385 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.481 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -67.78 -42.65 81.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -98.29 126.42 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.558 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -86.36 17.87 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.558 ' CE1' ' HG2' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -130.02 111.01 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 110.942 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.558 HD11 ' CD1' ' A' ' 7' ' ' PHE . 4.1 mm? -138.12 157.63 45.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.493 HG21 ' CH2' ' A' ' 159' ' ' TRP . 2.7 mp -128.14 152.57 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.406 HD12 ' CE1' ' A' ' 85' ' ' TYR . 3.9 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.405 ' C ' ' N ' ' A' ' 74' ' ' ASP . 4.3 tt0 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -44.77 -27.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 72' ' ' GLU . 2.5 t70 -47.82 -24.82 1.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.55 -57.84 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.8 t -48.5 143.41 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 2.1 m-20 -93.01 63.81 3.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.566 1.167 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.458 ' HA ' ' CE ' ' A' ' 81' ' ' LYS . 2.2 m-30 -48.66 93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.076 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -95.09 104.51 16.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.37 66.07 2.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 78' ' ' PHE . 8.2 mttm -135.99 162.86 31.68 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.528 0.781 . . . . 0.0 109.208 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -99.9 128.0 46.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -130.42 134.33 62.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.452 ' HB1' ' CG1' ' A' ' 51' ' ' ILE . . . -102.59 152.91 20.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.406 ' CE1' HD12 ' A' ' 52' ' ' ILE . 2.0 m-85 -131.7 136.1 47.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 4.3 p90 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.462 HD12 ' CD2' ' A' ' 73' ' ' LEU . 1.9 mp . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.4 ' HB3' ' CG2' ' A' ' 116' ' ' THR . 2.0 m -59.45 -70.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -53.41 -19.99 4.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -49.33 60.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.66 129.42 1.04 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 129.91 -134.18 7.76 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 146.44 30.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.4 ' CG2' ' HB3' ' A' ' 110' ' ' SER . 0.0 OUTLIER -125.27 122.47 37.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.648 ' CG1' ' CZ ' ' A' ' 167' ' ' PHE . 11.6 p -107.27 129.75 60.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.464 ' CB ' ' HD3' ' A' ' 157' ' ' LYS . 29.9 m-20 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -51.52 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.479 ' O ' ' CG2' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.91 -40.33 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.375 1.047 . . . . 0.0 109.337 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.464 ' HD3' ' CB ' ' A' ' 154' ' ' ASP . 2.6 pttp -64.13 -35.17 79.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 48.0 t -70.94 -61.21 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.493 ' CH2' HG21 ' A' ' 51' ' ' ILE . 24.1 t90 -51.8 -56.08 16.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 156' ' ' ILE . 61.1 t -50.84 -38.17 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -67.95 -31.5 71.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.36 -55.09 11.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -63.64 -54.26 38.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.766 ' HA ' ' HZ1' ' A' ' 164' ' ' LYS . 0.2 OUTLIER -55.18 -33.12 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 2.3 t -63.47 -76.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.368 1.042 . . . . 0.0 110.094 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.425 ' CB ' HG21 ' A' ' 117' ' ' VAL . 0.5 OUTLIER -45.14 -48.51 12.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.648 ' CZ ' ' CG1' ' A' ' 117' ' ' VAL . 18.7 m-30 -61.33 -27.31 68.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 165' ' ' SER . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.546 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 5.7 tptt -176.97 62.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.63 1.206 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.478 ' CD1' HG21 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -76.75 150.35 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -139.94 173.43 22.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.153 . . . . 0.0 110.991 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -126.09 116.48 21.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.593 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 9.9 m-85 -128.25 116.51 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -123.34 179.87 4.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.923 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.18 -34.42 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -54.28 -31.59 54.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.21 -45.77 54.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.517 ' CG2' ' CD1' ' A' ' 156' ' ' ILE . 2.6 mp -60.06 -54.15 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 160' ' ' VAL . 2.6 tp -59.54 -34.22 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -53.98 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -28.86 69.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.49 -49.67 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.39 -22.41 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.63 -45.84 1.34 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.384 1.052 . . . . 0.0 111.052 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -102.81 -171.92 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.242 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -91.7 -5.77 53.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.379 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.478 HG21 ' CD1' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -47.8 99.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 2.5 t -155.64 81.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.619 1.199 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.521 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 72.1 p -107.86 99.84 9.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -95.06 167.11 11.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.457 1.098 . . . . 0.0 109.199 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.526 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.38 -3.96 30.49 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.529 1.143 . . . . 0.0 109.629 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.04 -30.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.2 m -85.81 48.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.1 t -57.13 -17.19 9.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -5.55 32.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.26 -171.49 1.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -106.48 174.38 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' A' ' 76' ' ' VAL . 3.2 m -65.19 -12.01 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.443 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 5.9 t -54.62 -30.63 55.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.6 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 1.3 m-20 -56.03 -53.48 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.7 pp -77.01 -23.99 52.17 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.567 1.167 . . . . 0.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.443 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 51.8 t30 -60.44 -31.05 70.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.484 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 5.4 m-20 -74.59 -44.2 51.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -105.37 113.18 26.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.941 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.72 3.84 10.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.19 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.427 ' CE1' ' HG2' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -106.48 112.99 26.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 110.956 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 7' ' ' PHE . 2.1 mm? -134.11 164.68 26.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.192 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 4' ' ' ILE . 3.1 mp -128.71 145.11 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.432 ' N ' HG21 ' A' ' 51' ' ' ILE . 2.7 pp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.384 1.052 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.591 HD13 ' HZ1' ' A' ' 81' ' ' LYS . 1.7 pt? -51.31 -27.14 8.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.448 ' HA ' ' CD1' ' A' ' 109' ' ' ILE . 1.0 OUTLIER -61.15 -21.19 63.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.43 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.29 -54.97 6.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.592 HG23 ' CE1' ' A' ' 78' ' ' PHE . 35.3 m -66.08 147.23 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.2 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.55 59.24 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.592 ' CE1' HG23 ' A' ' 76' ' ' VAL . 1.6 m-30 -51.85 137.51 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.3 m-80 -132.9 143.29 49.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 38.6 29.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.591 ' HZ1' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -75.66 171.26 14.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 0.717 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.553 ' CD1' ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -117.46 138.53 51.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.485 ' CG2' ' HE3' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -135.95 130.59 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.481 ' HA ' ' CG1' ' A' ' 117' ' ' VAL . . . -102.28 121.15 41.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 109.228 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -96.96 119.73 35.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.506 ' HA ' ' CE2' ' A' ' 159' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.458 ' CG2' ' HE2' ' A' ' 81' ' ' LYS . 3.4 mp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 m -39.82 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.604 1.19 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -92.51 -41.88 10.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.609 1.193 . . . . 0.0 110.228 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.411 ' HA ' ' NE ' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -58.47 -47.99 82.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -36.63 -48.63 1.3 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 179.83 -119.58 0.64 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.17 152.37 25.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.8 m -122.83 122.44 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.366 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.571 HG13 ' CE1' ' A' ' 167' ' ' PHE . 14.5 p -93.96 131.14 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.916 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.442 ' OD1' ' CD ' ' A' ' 157' ' ' LYS . 9.3 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.82 -56.49 4.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.517 ' CD1' ' CG2' ' A' ' 21' ' ' ILE . 36.1 pt -69.37 -42.46 81.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.442 ' CD ' ' OD1' ' A' ' 154' ' ' ASP . 4.9 mtpt -57.41 -30.97 65.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.8 t -75.97 -71.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.57 ' CH2' HD13 ' A' ' 163' ' ' LEU . 39.5 t90 -42.08 -54.08 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 156' ' ' ILE . 75.7 t -51.3 -51.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -54.99 -32.45 61.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.607 1.192 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -69.3 -47.85 63.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.238 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.57 HD13 ' CH2' ' A' ' 159' ' ' TRP . 0.7 OUTLIER -59.67 -53.77 54.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -36.64 75.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.441 ' CB ' HG21 ' A' ' 117' ' ' VAL . 5.9 tp10 -60.43 -57.52 12.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.571 ' CE1' HG13 ' A' ' 117' ' ' VAL . 8.7 m-30 -39.95 -46.38 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.526 ' HE3' ' NZ ' ' A' ' 164' ' ' LYS . 1.5 mtpm? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -175.66 65.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.235 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.544 HD12 ' CE2' ' A' ' 26' ' ' PHE . 1.3 mp -75.63 149.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -138.83 -178.78 16.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -139.32 116.92 11.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.25 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.663 ' CE2' ' CD2' ' A' ' 44' ' ' LEU . 32.1 m-85 -132.12 121.69 24.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -129.05 179.89 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 111.052 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.43 1.081 . . . . 0.0 111.057 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.465 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 2.9 m -55.73 -35.15 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.59 -28.27 13.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.12 -46.48 28.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.435 HG21 ' CG2' ' A' ' 156' ' ' ILE . 2.7 mp -61.49 -56.42 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 19' ' ' ALA . 2.1 tp -54.72 -43.89 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' CG ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -56.22 -53.93 51.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -63.89 -23.73 67.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.538 ' CG ' HD11 ' A' ' 156' ' ' ILE . 51.4 mm-40 -77.54 -29.67 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CE2' HD12 ' A' ' 4' ' ' ILE . 1.5 m-85 -75.17 0.48 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.88 47.05 9.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.389 1.055 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -172.84 -174.2 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.596 0.821 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -101.87 -12.6 18.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -48.35 100.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.461 HG23 ' CG ' ' A' ' 23' ' ' ARG . 53.3 t -155.12 84.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 0.0 109.397 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.53 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 66.6 p -113.85 99.53 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.361 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' CD1' ' CB ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -108.07 165.49 11.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.601 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -58.76 -16.62 17.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.695 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.483 ' CB ' ' CD1' ' A' ' 33' ' ' LEU . 7.8 t70 -39.02 -31.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.449 ' N ' ' C ' ' A' ' 34' ' ' HIS . 6.4 m -83.78 50.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.419 1.075 . . . . 0.0 109.374 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -59.12 -15.19 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.092 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -6.64 38.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.395 1.059 . . . . 0.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.63 -171.45 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.372 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -109.89 177.18 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.45 HG23 ' CG1' ' A' ' 76' ' ' VAL . 2.2 p -65.29 -11.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.452 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 39.7 p -56.29 -29.07 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.58 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -52.51 -54.35 33.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.663 ' CD2' ' CE2' ' A' ' 7' ' ' PHE . 4.2 pp -77.68 -34.75 52.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.452 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 42.8 t30 -47.47 -31.02 3.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.516 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 67.0 t0 -84.41 -35.28 23.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -102.29 110.4 22.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.974 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -84.92 47.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.239 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -155.83 113.46 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.548 HD22 ' CE1' ' A' ' 7' ' ' PHE . 3.3 mt -146.3 164.85 31.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.46 ' CG1' ' HB2' ' A' ' 84' ' ' ALA . 3.1 mt -117.0 145.85 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.428 ' N ' HG23 ' A' ' 51' ' ' ILE . 11.9 pt . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 74' ' ' ASP . 27.9 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.557 ' CD2' ' CD1' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -46.1 -26.71 0.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 72' ' ' GLU . 21.4 t70 -53.13 -21.42 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.97 -55.01 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.604 HG22 ' CD1' ' A' ' 78' ' ' PHE . 32.4 m -70.5 154.16 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.86 65.55 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.619 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 2.3 m-30 -51.06 125.67 14.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -137.73 98.08 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 88.37 64.65 1.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.953 ' HZ1' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -132.24 171.25 13.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 0.787 . . . . 0.0 109.23 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.678 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 2.1 pp -101.45 126.25 48.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.953 ' CG1' ' HZ1' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -125.88 128.55 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.46 ' HB2' ' CG1' ' A' ' 51' ' ' ILE . . . -101.98 162.72 12.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.78 116.92 17.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.6 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.917 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.557 ' CD1' ' CD2' ' A' ' 73' ' ' LEU . 2.8 mp . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.16 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -92.31 -41.8 10.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -58.53 -47.93 82.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -36.63 -52.27 1.42 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.45 -118.24 0.74 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.18 151.06 29.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.1 m -108.9 147.35 32.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.31 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.656 ' CG1' ' CE1' ' A' ' 167' ' ' PHE . 8.1 p -134.54 135.72 53.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.165 . . . . 0.0 110.999 -179.884 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.04 -56.67 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.538 HD11 ' CG ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -52.25 -46.63 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.243 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -64.0 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.206 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 -68.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.944 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.564 ' CH2' HD11 ' A' ' 163' ' ' LEU . 30.2 t90 -46.81 -53.93 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 25' ' ' GLU . 48.2 t -51.35 -51.64 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -54.48 -31.8 56.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -47.37 57.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.336 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.564 HD11 ' CH2' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -61.04 -53.41 57.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.526 ' NZ ' ' HE3' ' A' ' 2' ' ' LYS . 5.4 mmmt -64.55 -29.78 70.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -57.95 -74.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.636 1.21 . . . . 0.0 109.979 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.448 ' CB ' HG21 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -53.65 -53.68 48.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.678 ' CZ ' HD12 ' A' ' 82' ' ' LEU . 15.7 m-30 -53.86 -22.7 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mptt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.431 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -174.83 66.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.475 ' CG2' HD13 ' A' ' 51' ' ' ILE . 1.1 mp -74.24 147.55 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.571 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -137.36 171.81 23.01 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -131.66 115.83 16.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 7.3 m-85 -124.5 122.54 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.721 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -127.96 179.81 5.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 O-C-N 124.446 1.092 . . . . 0.0 111.036 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 21.9 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 m -55.34 -31.7 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.467 ' O ' ' CG2' ' A' ' 22' ' ' ILE . . . -53.22 -49.68 66.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.645 1.215 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -34.34 78.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -60.1 -56.88 14.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' ' O ' ' A' ' 19' ' ' ALA . 7.0 tp -54.77 -45.08 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.791 HH21 ' CD2' ' A' ' 33' ' ' LEU . 78.5 mtt180 -50.12 -44.4 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.96 -40.07 75.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -33.95 68.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.353 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 1.9 m-85 -72.05 -3.43 22.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . 37.76 86.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.174 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 3.2 m-20 156.44 -171.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.77 -18.22 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 4' ' ' ILE . 0.9 OUTLIER -51.23 100.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.489 ' CG1' ' HG2' ' A' ' 23' ' ' ARG . 26.8 m -154.71 81.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.571 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 47.0 p -115.68 99.48 7.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.791 ' CD2' HH21 ' A' ' 23' ' ' ARG . 0.2 OUTLIER -97.21 166.4 11.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.721 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -67.63 -9.45 43.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.547 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.539 ' N ' ' HD1' ' A' ' 34' ' ' HIS . 11.8 t70 -39.3 -30.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.401 1.063 . . . . 0.0 109.215 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.45 ' N ' ' C ' ' A' ' 34' ' ' HIS . 13.9 p -82.32 52.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.353 1.033 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -65.44 -10.62 35.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -5.61 33.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.271 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.59 -171.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.61 176.31 5.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.458 ' CG2' HG23 ' A' ' 76' ' ' VAL . 3.5 m -64.82 -12.23 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.413 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.451 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 6.2 t -56.39 -29.94 62.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.75 -53.39 58.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.407 1.067 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.7 pp -77.28 -23.14 51.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.412 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.482 ' OD1' ' CG1' ' A' ' 76' ' ' VAL . 55.7 t30 -61.26 -32.03 71.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.1 -45.42 49.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.66 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -92.3 117.02 29.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 111.11 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.596 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -85.25 33.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.596 ' CE1' ' HG2' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -141.42 112.18 7.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.58 HD12 ' CE1' ' A' ' 7' ' ' PHE . 3.7 mm? -141.08 161.22 38.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.389 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.475 HD13 ' CG2' ' A' ' 4' ' ' ILE . 2.8 mp -126.64 153.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.412 1.07 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mm . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 8' ' ' TYR . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -65.7 -27.29 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.2 -22.57 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -88.92 -57.37 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.482 ' CG1' ' OD1' ' A' ' 45' ' ' ASN . 48.5 t -40.44 144.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.99 54.69 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 1.7 m-30 -49.36 130.17 19.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -137.84 119.97 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.61 65.04 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.58 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -128.77 170.73 12.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -106.15 135.1 48.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.48 HG13 ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -136.28 134.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -105.69 135.13 47.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -115.75 115.07 25.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.594 ' HB2' ' CZ2' ' A' ' 159' ' ' TRP . 3.0 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.448 HG12 ' CD1' ' A' ' 73' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.432 ' N ' HG23 ' A' ' 109' ' ' ILE . 11.5 m -72.15 -71.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.02 -18.76 5.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.231 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -76.21 -47.18 24.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.42 74.3 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 81' ' ' LYS . . . 159.78 167.07 19.88 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.06 146.38 30.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.387 0.698 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -116.32 124.86 51.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.175 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.568 HG13 ' CE1' ' A' ' 167' ' ' PHE . 3.0 m -94.15 148.14 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.42 1.075 . . . . 0.0 110.984 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -75.8 -44.33 41.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.344 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.504 ' O ' ' CG2' ' A' ' 160' ' ' VAL . 3.4 pt -52.48 -40.36 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.225 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -61.83 -30.98 71.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.6 t -68.64 -60.22 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.594 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 37.9 t90 -54.44 -55.33 29.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.002 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 156' ' ' ILE . 59.0 t -51.55 -36.96 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -68.09 -31.87 71.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -68.33 -54.93 14.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -64.36 -54.25 35.85 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.572 1.17 . . . . 0.0 109.225 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.536 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -54.71 -32.75 60.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 2.4 t -64.31 -75.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.087 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.12 -54.72 12.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.568 ' CE1' HG13 ' A' ' 117' ' ' VAL . 13.5 m-30 -49.34 -37.72 25.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.432 1.083 . . . . 0.0 111.018 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.517 ' HG2' ' CG ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -176.16 69.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.607 1.192 . . . . 0.0 109.283 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.47 ' CD1' HG22 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -80.16 148.13 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.566 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -137.64 175.3 21.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -134.38 117.09 15.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.736 . . . . 0.0 109.254 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.59 ' CE2' HD21 ' A' ' 44' ' ' LEU . 9.8 m-85 -128.77 122.06 29.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.637 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -136.48 179.87 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.067 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -55.29 -40.03 54.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -53.41 -30.57 40.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.54 -43.29 60.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.218 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.702 HG23 HD11 ' A' ' 156' ' ' ILE . 2.5 mp -63.29 -55.18 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.642 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 2.6 tp -59.12 -33.13 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.461 ' CB ' HG21 ' A' ' 31' ' ' VAL . 12.3 ttt-85 -65.11 -54.2 33.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -20.0 65.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.586 1.178 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.649 ' CG ' ' CD1' ' A' ' 156' ' ' ILE . 3.9 mm-40 -77.7 -49.35 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.523 ' CD2' HD12 ' A' ' 22' ' ' ILE . 0.7 OUTLIER -50.5 -20.93 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 111.003 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 -67.43 1.88 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -73.56 -172.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.44 -7.54 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -48.6 99.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' A' ' 23' ' ' ARG . 17.0 t -156.4 84.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.566 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 72.8 p -114.72 99.22 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -112.9 163.05 15.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.598 1.186 . . . . 0.0 109.237 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 2.0 p-80 -39.13 -30.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.566 1.167 . . . . 0.0 109.551 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.463 ' CB ' HD13 ' A' ' 33' ' ' LEU . 7.6 t0 -39.21 -31.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.441 ' N ' ' C ' ' A' ' 34' ' ' HIS . 16.9 m -82.01 52.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.3 t -63.78 -11.5 27.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -6.25 35.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.74 126.92 37.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -169.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.46 HG22 ' CG1' ' A' ' 76' ' ' VAL . 7.6 p -65.61 -11.36 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.46 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 4.7 t -58.17 -26.54 62.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.606 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -55.82 -53.97 50.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.59 HD21 ' CE2' ' A' ' 7' ' ' PHE . 4.2 pp -76.35 -22.37 54.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.46 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 54.6 t30 -63.51 -30.44 71.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.235 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.444 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 12.3 m-20 -83.04 -40.69 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.652 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.59 115.75 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.482 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -85.77 43.63 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.507 ' HB3' ' CG ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -154.39 112.67 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.582 HD12 ' CE1' ' A' ' 7' ' ' PHE . 3.0 mm? -139.43 165.54 26.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 84' ' ' ALA . 3.1 mp -121.99 139.28 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.596 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 6.2 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.364 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.522 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -53.85 -26.35 24.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.219 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.43 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -72.04 -21.4 61.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.64 -59.53 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.588 HG23 ' CD1' ' A' ' 78' ' ' PHE . 15.2 m -45.28 168.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.72 59.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.616 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 2.3 m-30 -61.64 121.88 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.108 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -138.29 95.52 3.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 93.1 64.94 1.08 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.616 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -133.53 170.86 14.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.609 ' HB2' ' CE1' ' A' ' 167' ' ' PHE . 2.1 pp -102.54 132.0 48.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.417 HG11 ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -128.16 118.41 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.46 ' O ' ' CG2' ' A' ' 51' ' ' ILE . . . -101.71 113.86 27.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.487 ' CE2' HD13 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -97.23 138.1 35.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.055 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' ILE . 9.8 p90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.432 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 2.2 mp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' ILE . 74.6 m -38.04 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.951 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -94.64 -50.53 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -58.08 -15.39 9.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -101.42 -20.98 12.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 165.18 -134.35 3.29 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.78 148.92 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.3 t -121.65 137.93 54.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.435 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.565 HG13 ' CE1' ' A' ' 167' ' ' PHE . 10.3 m -113.81 145.99 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -75.69 -35.34 60.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.361 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.702 HD11 HG23 ' A' ' 21' ' ' ILE . 1.3 pt -71.94 -37.45 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.588 ' HG2' ' OE2' ' A' ' 25' ' ' GLU . 17.0 mttt -67.75 -31.46 71.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.129 . . . . 0.0 109.207 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 13.6 t -77.18 -52.15 9.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.105 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.57 ' CZ2' HD11 ' A' ' 163' ' ' LEU . 30.5 t90 -57.54 -56.45 21.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 108.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.642 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 35.7 t -50.53 -52.02 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -55.56 -31.14 61.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -71.8 -47.84 50.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.57 HD11 ' CZ2' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -58.93 -54.61 45.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -64.3 -35.2 80.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.7 t -52.6 -78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.472 ' CB ' HG11 ' A' ' 117' ' ' VAL . 30.2 mm-40 -50.2 -60.22 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.609 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 16.2 m-30 -46.21 -23.75 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.374 1.046 . . . . 0.0 111.02 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mttt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.467 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -177.79 64.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -73.92 151.65 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.635 1.209 . . . . 0.0 109.36 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.556 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -141.41 -179.87 18.97 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.52 115.85 8.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.23 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.628 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 7.3 m-85 -125.09 119.7 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.637 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -121.91 179.96 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 O-C-N 124.551 1.157 . . . . 0.0 110.932 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.472 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 69.8 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.29 -40.9 58.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.245 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.4 -41.48 60.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.22 -29.68 66.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -69.52 -55.4 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.503 HD11 ' CG2' ' A' ' 160' ' ' VAL . 6.0 tp -54.91 -43.09 66.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.791 HH21 ' HG ' ' A' ' 33' ' ' LEU . 47.0 mtt180 -58.03 -53.8 54.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.391 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.77 -21.6 66.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.741 ' CG ' HD12 ' A' ' 156' ' ' ILE . 2.1 mm-40 -74.85 -48.03 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.249 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -55.99 -16.8 5.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.1 -86.17 1.1 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.438 ' CB ' HG22 ' A' ' 30' ' ' VAL . 7.5 m-80 -42.41 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.57 -12.1 61.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 2.4 m -49.55 100.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.454 ' CG1' ' HG2' ' A' ' 23' ' ' ARG . 27.9 m -154.37 81.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.556 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 19.9 p -112.03 100.07 8.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.791 ' HG ' HH21 ' A' ' 23' ' ' ARG . 0.2 OUTLIER -102.44 165.32 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.637 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -58.8 -16.73 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.603 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.492 ' CB ' ' CD1' ' A' ' 33' ' ' LEU . 26.2 t0 -39.44 -30.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.612 1.195 . . . . 0.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' A' ' 34' ' ' HIS . 95.7 t -82.11 52.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.582 1.176 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 t -65.78 -10.13 34.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.085 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -5.56 32.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.05 135.13 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.46 -172.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.247 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.6 m -65.32 -11.8 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.3 t -54.46 -27.9 40.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.59 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -62.87 -53.13 58.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.628 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.4 pp -73.28 -22.58 60.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -69.55 -30.86 68.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.502 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 79.5 m-20 -69.33 -38.93 78.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.633 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -100.34 121.0 40.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.45 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -88.51 37.15 0.81 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.482 ' HB3' ' CG ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -154.57 110.91 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.626 ' CD2' ' CD1' ' A' ' 7' ' ' PHE . 1.2 mp -144.32 164.93 29.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.703 HG22 ' CZ2' ' A' ' 159' ' ' TRP . 1.4 mp -121.26 154.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.614 1.196 . . . . 0.0 109.348 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.561 HD11 ' CD2' ' A' ' 85' ' ' TYR . 2.9 pp . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.501 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -55.02 -26.33 36.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.218 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.423 ' N ' HD21 ' A' ' 73' ' ' LEU . 5.9 t70 -52.15 -21.92 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.187 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -56.98 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.361 1.038 . . . . 0.0 109.269 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.6 t -50.0 142.56 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.12 53.67 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.552 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 1.8 m-85 -49.96 132.36 22.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -140.63 146.99 38.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 39.72 48.37 3.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.552 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -117.35 171.65 7.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.733 ' CD1' ' CE1' ' A' ' 167' ' ' PHE . 1.8 pp -110.89 127.15 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 2.9 t -127.63 121.05 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.483 ' HA ' ' CG2' ' A' ' 117' ' ' VAL . . . -102.07 162.86 12.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.561 ' CD2' HD11 ' A' ' 52' ' ' ILE . 1.7 t80 -138.11 131.19 30.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 6.9 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.5 mm . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.61 -77.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.417 ' NE2' HG22 ' A' ' 116' ' ' THR . 32.5 mm-40 -91.99 -43.45 9.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -58.64 -42.2 87.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -62.72 -35.09 91.43 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.429 1.081 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.14 -106.73 0.28 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.467 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -123.96 146.56 48.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 0.796 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.417 HG22 ' NE2' ' A' ' 111' ' ' GLN . 10.1 t -119.04 133.52 55.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.445 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.539 ' CG1' ' CB ' ' A' ' 166' ' ' GLU . 4.3 m -121.28 139.15 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.595 1.185 . . . . 0.0 111.012 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -32.43 59.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.581 1.176 . . . . 0.0 110.285 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.741 HD12 ' CG ' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -69.14 -38.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -31.04 70.85 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.1 m -72.45 -58.66 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.703 ' CZ2' HG22 ' A' ' 51' ' ' ILE . 44.4 t90 -55.98 -52.74 63.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.503 ' CG2' HD11 ' A' ' 22' ' ' ILE . 45.5 t -51.1 -51.71 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.234 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.81 -32.07 67.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -66.49 -47.31 73.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.228 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.567 HD13 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -63.82 -53.66 47.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -58.03 -33.53 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.94 -69.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.539 ' CB ' ' CG1' ' A' ' 117' ' ' VAL . 0.6 OUTLIER -58.21 -57.45 12.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 110.323 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.733 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 10.9 m-30 -36.84 -49.47 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.47 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -176.52 68.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -82.77 148.88 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.536 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -137.69 177.63 19.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.74 116.29 13.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.745 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.665 ' CE1' ' CD2' ' A' ' 50' ' ' LEU . 6.4 m-85 -128.43 120.54 27.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.746 ' CE2' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -121.79 173.23 7.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.453 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 19' ' ' ALA . 31.3 m -56.51 -46.63 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 109.4 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.468 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -56.83 -29.66 63.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -36.05 64.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.408 1.067 . . . . 0.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.9 mp -69.4 -56.39 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 19' ' ' ALA . 4.4 tp -55.25 -38.31 47.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.456 1.098 . . . . 0.0 109.203 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.72 -54.1 50.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.1 -19.6 64.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 160' ' ' VAL . 3.1 mm-40 -76.38 -48.79 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.534 ' CD2' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -56.54 -16.28 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.62 -80.54 1.37 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -57.59 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 0.808 . . . . 0.0 109.349 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -94.04 -6.29 45.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -48.13 99.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 23' ' ' ARG . 2.9 t -155.6 81.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.536 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 67.1 p -109.42 99.67 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.357 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -98.73 167.2 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.746 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -74.22 -5.75 43.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.656 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 4.0 m-20 -39.93 -30.23 0.08 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.638 1.211 . . . . 0.0 109.395 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.438 ' N ' ' C ' ' A' ' 34' ' ' HIS . 24.7 m -87.48 46.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -53.9 -19.57 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -5.47 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.79 -171.68 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -107.15 164.19 12.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 76' ' ' VAL . 10.5 m -65.12 -12.13 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.437 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 7.7 t -54.57 -28.23 44.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.566 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -57.97 -53.56 56.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.358 1.036 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.594 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 4.1 pp -77.54 -24.38 49.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.437 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 52.3 t30 -58.29 -34.84 70.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 28.3 t70 -77.88 -42.72 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -95.22 107.84 19.95 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.517 1.136 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.594 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.9 pt20 -82.02 48.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.347 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.594 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -154.2 113.27 3.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.665 ' CD2' ' CE1' ' A' ' 7' ' ' PHE . 4.8 mt -143.29 165.28 27.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.608 1.192 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.468 HG23 ' CH2' ' A' ' 159' ' ' TRP . 1.9 mp -124.31 150.39 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.434 1.084 . . . . 0.0 109.34 -179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 110.334 -0.246 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.47 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -49.0 -26.82 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 109.217 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.418 ' N ' HD21 ' A' ' 73' ' ' LEU . 26.1 t0 -54.77 -21.48 11.22 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -76.36 -53.58 7.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.38 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.578 HG22 ' CD1' ' A' ' 78' ' ' PHE . 29.9 m -72.39 162.46 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -105.59 68.05 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CD1' HG22 ' A' ' 76' ' ' VAL . 2.3 m-30 -58.35 111.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.17 92.95 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.437 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . 99.21 35.94 4.58 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.09 166.23 10.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.42 0.718 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.562 ' CD1' ' CZ ' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -102.61 129.77 49.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.8 132.59 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HA ' ' CG1' ' A' ' 117' ' ' VAL . . . -102.04 142.87 32.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -106.12 118.58 36.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.502 ' HA ' ' CZ2' ' A' ' 159' ' ' TRP . 39.6 p90 . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.443 ' CG1' HD23 ' A' ' 73' ' ' LEU . 16.7 mm . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.1 t -53.29 -57.07 11.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.384 1.053 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.52 -3.83 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.435 ' CB ' ' HA ' ' A' ' 109' ' ' ILE . 2.5 tpt180 -74.24 -51.07 16.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.3 126.99 0.91 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.408 1.068 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.437 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 132.14 -131.76 6.4 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.29 146.68 40.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 t -123.9 122.46 38.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.464 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 167' ' ' PHE . 7.1 p -111.55 162.66 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.384 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.469 ' HB2' ' CE ' ' A' ' 157' ' ' LYS . 4.6 p-10 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -50.08 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.461 HG12 ' N ' ' A' ' 157' ' ' LYS . 0.2 OUTLIER -51.9 -40.93 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 161' ' ' ALA . 12.6 pttt -65.01 -31.01 72.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.3 t -74.31 -60.66 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.002 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.573 ' CH2' HD12 ' A' ' 163' ' ' LEU . 28.2 t90 -53.14 -57.35 10.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 25' ' ' GLU . 69.8 t -50.52 -51.76 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 157' ' ' LYS . . . -54.76 -31.61 58.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.645 1.215 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.85 -49.28 39.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.573 HD12 ' CH2' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -58.1 -53.65 55.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.534 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -63.85 -35.2 79.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -52.56 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.476 ' HB2' ' CG2' ' A' ' 117' ' ' VAL . 14.9 mt-10 -51.89 -61.35 2.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.633 1.208 . . . . 0.0 110.222 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.65 ' CE1' ' CG1' ' A' ' 117' ' ' VAL . 15.9 m-30 -44.7 -25.1 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.387 1.054 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mttp . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.472 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -175.06 73.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.449 ' CG2' HD11 ' A' ' 51' ' ' ILE . 1.1 mp -84.59 149.07 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.564 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -135.28 171.6 22.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.55 116.37 15.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.6 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 8.5 m-85 -125.69 128.8 48.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.648 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -128.33 179.95 5.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.479 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.41 -47.24 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.468 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.67 -33.27 33.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -39.4 69.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.421 1.076 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 17' ' ' SER . 2.5 mp -66.51 -56.98 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.194 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.617 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 2.4 tp -55.9 -33.13 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.69 -54.28 44.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.627 1.204 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.12 -40.42 97.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.627 1.204 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' HG3' ' CG ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -57.17 -49.74 75.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.523 ' HA ' ' CG1' ' A' ' 160' ' ' VAL . 0.6 OUTLIER -49.75 -21.28 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.99 67.27 2.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 170.62 -158.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.3 -18.53 12.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.06 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -48.43 99.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 HG21 ' CG ' ' A' ' 23' ' ' ARG . 3.0 t -156.13 81.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.564 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 51.0 p -112.72 99.41 7.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -94.69 164.78 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.648 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -76.76 -0.68 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.596 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.455 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 2.8 m-20 -39.25 -30.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' HIS . 19.6 m -84.6 50.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -60.69 -14.37 20.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -71.23 -5.43 31.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.35 -171.58 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.44 168.32 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 110.289 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.597 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 5.8 m -64.22 -12.83 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.431 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 15.5 p -54.19 -29.84 47.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.411 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.516 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -57.4 -53.5 57.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.6 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.5 pp -77.2 -23.46 51.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.431 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 41.0 t30 -62.7 -31.14 71.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.243 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.95 -40.62 68.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.634 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -95.39 118.3 31.89 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.528 1.142 . . . . 0.0 111.108 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.477 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 3.6 mt-30 -84.63 40.88 0.82 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.477 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -155.12 113.47 3.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.073 . . . . 0.0 110.955 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD12 ' CE1' ' A' ' 7' ' ' PHE . 3.8 mm? -141.56 162.91 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.449 HD11 ' CG2' ' A' ' 4' ' ' ILE . 2.8 mp -118.1 148.3 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.406 ' N ' HG22 ' A' ' 51' ' ' ILE . 1.9 mm . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -53.61 -25.58 18.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.42 ' N ' HD23 ' A' ' 73' ' ' LEU . 17.7 t0 -68.16 -20.54 64.89 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.09 -63.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.597 ' CG1' ' CG2' ' A' ' 41' ' ' VAL . 7.7 m -40.31 152.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.308 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -88.51 44.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.626 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 1.9 m-30 -38.02 134.68 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -139.29 124.21 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 49.61 66.16 2.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.728 ' HZ1' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -128.77 171.44 12.23 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.722 ' CD1' ' CE1' ' A' ' 167' ' ' PHE . 0.9 OUTLIER -106.19 135.35 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.245 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.484 ' CG2' ' HE3' ' A' ' 81' ' ' LYS . 1.0 OUTLIER -135.27 121.36 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.536 ' HA ' ' CG2' ' A' ' 117' ' ' VAL . . . -101.91 119.84 39.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -97.97 123.49 42.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.728 HG23 ' HZ1' ' A' ' 81' ' ' LYS . 1.1 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 116' ' ' THR . 53.9 m -58.76 -40.31 83.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -86.67 11.61 12.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.371 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -54.94 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.075 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -178.08 98.12 0.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 159.82 169.17 22.79 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 146.5 31.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 0.812 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 110' ' ' SER . 81.3 p -117.39 122.44 43.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.574 1.171 . . . . 0.0 110.433 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.536 ' CG2' ' HA ' ' A' ' 84' ' ' ALA . 11.8 m -107.17 142.89 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.463 ' HB3' ' CD ' ' A' ' 157' ' ' LYS . 46.9 m-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -55.85 -40.74 73.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.406 ' CG2' ' HG2' ' A' ' 25' ' ' GLU . 1.6 mp -56.48 -52.54 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.463 ' CD ' ' HB3' ' A' ' 154' ' ' ASP . 26.5 mtpt -48.52 -43.01 34.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 161' ' ' ALA . 8.1 t -57.44 -64.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.186 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.566 ' CH2' HD11 ' A' ' 163' ' ' LEU . 32.8 t90 -46.3 -57.93 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 108.029 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.617 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 87.3 t -50.0 -31.26 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 158' ' ' SER . . . -68.48 -33.99 75.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.503 ' HG2' ' CD2' ' A' ' 163' ' ' LEU . 1.9 pt20 -74.58 -39.2 62.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.566 HD11 ' CH2' ' A' ' 159' ' ' TRP . 4.6 mt -60.85 -54.09 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 164' ' ' LYS . 0.2 OUTLIER -61.52 -35.02 76.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -64.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.466 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.7 OUTLIER -67.43 -54.53 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.722 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 8.5 m-30 -35.74 -52.62 0.71 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.528 ' HZ1' HG22 ' A' ' 32' ' ' THR . 0.7 OUTLIER 179.81 70.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.523 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -73.93 135.43 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.536 ' HA3' ' O ' ' A' ' 32' ' ' THR . . . -138.06 -179.92 17.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -140.61 116.3 10.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.726 . . . . 0.0 109.319 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.624 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 9.6 m-85 -121.11 143.9 48.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -138.18 123.43 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.6 m -62.42 -38.16 80.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.469 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.61 -31.87 26.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.94 -39.97 65.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.69 -56.27 14.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.102 HD13 ' CG2' ' A' ' 160' ' ' VAL . 4.2 tp -57.1 -33.41 42.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.464 ' CG ' HG23 ' A' ' 31' ' ' VAL . 1.6 tmt_? -62.98 -53.84 47.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.301 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.12 -34.76 64.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.954 ' HB3' ' CG1' ' A' ' 160' ' ' VAL . 63.4 mm-40 -65.79 -49.73 67.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.914 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -53.68 -18.76 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.16 64.51 4.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 169.99 -172.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.774 . . . . 0.0 109.259 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.86 -16.14 18.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.221 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG22 ' CD1' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -47.94 99.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.464 HG23 ' CG ' ' A' ' 23' ' ' ARG . 53.1 t -156.19 85.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.536 ' O ' ' HA3' ' A' ' 5' ' ' GLY . 7.7 p -113.13 99.43 7.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -104.02 166.51 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.387 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -59.9 -15.49 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.575 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 9.1 m-20 -37.35 -33.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.415 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.9 m -81.22 53.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.1 t -63.64 -11.1 22.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -5.68 32.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.98 -171.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.354 1.034 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.02 -175.14 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.444 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 2.4 m -65.74 -11.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -58.48 -27.48 64.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.542 1.151 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.464 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -68.74 -54.64 14.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.624 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.3 pp -62.68 -27.46 69.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.417 ' N ' HD11 ' A' ' 44' ' ' LEU . 10.3 t30 -74.5 -30.96 62.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.04 -39.23 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.65 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.63 145.81 28.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.508 ' CB ' ' HB3' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -107.79 39.1 2.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.225 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.482 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -155.4 113.63 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.515 ' CD1' ' HB2' ' A' ' 44' ' ' LEU . 46.9 mt -151.74 165.03 35.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.464 ' CG1' ' HB2' ' A' ' 84' ' ' ALA . 3.1 mp -130.29 153.96 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' ASP . 16.1 mp0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.804 ' CD2' HG12 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -44.69 -26.98 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 72' ' ' GLU . 1.0 OUTLIER -51.31 -22.05 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -100.26 -44.65 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.611 HG11 ' CE1' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -54.08 -171.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.0 p-10 -145.81 66.77 1.21 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CE1' HG11 ' A' ' 76' ' ' VAL . 6.2 m-30 -61.49 113.54 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.45 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 1.8 m-80 -129.72 61.9 1.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.94 58.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.84 ' O ' ' HA3' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -147.14 169.44 19.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.392 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.463 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -96.36 128.17 43.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.73 ' O ' ' HA ' ' A' ' 116' ' ' THR . 0.0 OUTLIER -131.59 123.29 52.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.797 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.93 162.4 12.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.658 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 0.3 OUTLIER -129.08 130.65 46.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.931 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.747 ' CD2' ' CH2' ' A' ' 159' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.804 HG12 ' CD2' ' A' ' 73' ' ' LEU . 1.7 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.418 ' CB ' ' HB ' ' A' ' 116' ' ' THR . 0.7 OUTLIER -55.57 -62.12 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.065 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -54.1 -19.41 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.308 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -75.37 -42.57 53.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.417 ' HA3' ' C ' ' A' ' 79' ' ' ASN . . . 173.44 127.41 0.98 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.84 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 119.09 -140.27 14.95 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.65 154.56 41.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 0.808 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.73 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -122.55 147.32 46.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.573 1.17 . . . . 0.0 110.373 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.797 HG22 ' HA ' ' A' ' 84' ' ' ALA . 5.9 m -135.84 152.73 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -75.89 -56.53 4.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -52.32 -44.95 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -31.04 71.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -61.79 -71.76 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.747 ' CH2' ' CD2' ' A' ' 86' ' ' PHE . 17.7 t90 -46.23 -51.08 15.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 108.01 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 1.102 ' CG2' HD13 ' A' ' 22' ' ' ILE . 33.1 t -51.37 -40.61 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -69.31 -31.59 70.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.57 -46.05 80.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.565 HD13 ' CH2' ' A' ' 159' ' ' TRP . 0.2 OUTLIER -71.84 -54.22 10.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.914 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -53.71 -39.85 65.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 12.8 m -61.92 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.526 ' CB ' ' CG1' ' A' ' 117' ' ' VAL . 4.2 mm-40 -46.04 -61.92 1.55 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.721 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 13.1 m-30 -37.53 -60.27 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.955 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.64 71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.569 ' CD1' HG13 ' A' ' 30' ' ' VAL . 1.1 mt -97.56 137.85 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.59 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -136.9 -175.77 13.98 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.22 117.18 8.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.62 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 7.9 m-85 -125.24 127.07 46.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.615 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.6 OUTLIER -122.57 179.78 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 111.036 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.406 1.066 . . . . 0.0 111.02 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 m -55.27 -37.3 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -57.44 -33.29 67.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -37.96 66.59 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.485 HG21 HG22 ' A' ' 156' ' ' ILE . 2.4 mp -66.69 -56.36 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.762 ' CD1' HG22 ' A' ' 160' ' ' VAL . 2.6 tp -55.07 -36.95 40.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.466 ' CG ' HG22 ' A' ' 31' ' ' VAL . 3.6 tmt_? -59.2 -53.99 51.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -62.01 -40.88 97.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.861 ' OE2' ' CE ' ' A' ' 157' ' ' LYS . 65.1 mm-40 -57.62 -49.92 74.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.335 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.619 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 0.7 OUTLIER -55.21 -17.61 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.073 179.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.7 45.6 93.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.402 1.064 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -173.48 155.9 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -70.34 -7.78 45.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 4' ' ' ILE . 2.2 t -55.71 100.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 2.8 t -156.44 81.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.59 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 20.5 p -108.3 98.92 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.185 . . . . 0.0 110.425 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -95.24 164.09 12.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.615 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.57 2.4 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.651 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 4.8 m-20 -37.9 -32.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' A' ' 34' ' ' HIS . 5.4 m -83.38 51.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -60.46 -13.92 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -5.6 31.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.92 -171.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.15 167.89 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.234 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.51 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 4.1 m -65.41 -11.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 p -53.77 -27.49 29.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.404 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -67.56 -53.51 27.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.62 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.5 pp -68.45 -22.87 64.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.448 ' N ' HD13 ' A' ' 44' ' ' LEU . 43.7 t30 -75.19 -30.72 60.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.566 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 12.3 t0 -63.85 -40.14 95.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.625 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -100.65 143.68 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 111.047 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.512 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.8 OUTLIER -107.7 40.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.512 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -155.83 113.23 3.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' ' 44' ' ' LEU . 26.7 mt -149.57 165.58 31.81 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.759 HG21 ' CH2' ' A' ' 159' ' ' TRP . 3.6 mp -127.3 158.6 38.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.406 ' HA ' HG21 ' A' ' 76' ' ' VAL . 0.6 OUTLIER -57.17 -26.11 60.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.6 -20.97 66.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.57 -63.08 1.49 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.598 HG22 ' CD1' ' A' ' 78' ' ' PHE . 13.7 m -44.38 150.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -86.34 47.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.598 ' CD1' HG22 ' A' ' 76' ' ' VAL . 1.5 m-30 -38.81 105.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.09 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -63.62 -151.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.646 1.216 . . . . 0.0 109.235 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.452 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . -67.01 57.58 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.377 1.048 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.495 ' HD3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.2 171.39 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.352 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.745 ' CD1' ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -100.84 138.73 37.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.488 ' CG2' ' HE2' ' A' ' 81' ' ' LYS . 0.5 OUTLIER -140.24 121.17 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.571 ' HA ' ' CG2' ' A' ' 117' ' ' VAL . . . -101.92 157.34 16.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.596 ' O ' ' NE1' ' A' ' 159' ' ' TRP . 0.1 OUTLIER -130.08 134.17 47.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.393 1.058 . . . . 0.0 111.022 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.601 ' HA ' ' NE1' ' A' ' 159' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 111.053 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.78 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.441 ' HG3' ' CG2' ' A' ' 116' ' ' THR . 1.4 mt-30 -92.0 -46.66 7.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -58.97 -15.77 14.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 79' ' ' ASN . . . -108.46 27.15 14.32 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 124.393 1.058 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.452 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 112.5 -118.06 4.53 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.624 0.838 . . . . 0.0 111.024 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -119.17 147.78 43.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.796 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.441 ' CG2' ' HG3' ' A' ' 111' ' ' GLN . 4.0 t -131.93 137.52 47.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.419 1.074 . . . . 0.0 110.403 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.571 ' CG2' ' HA ' ' A' ' 84' ' ' ALA . 10.2 m -125.08 142.83 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.43 1.081 . . . . 0.0 111.082 -179.894 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.424 ' CG ' HD11 ' A' ' 156' ' ' ILE . 9.6 ttm180 -75.79 -56.34 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.244 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.541 ' N ' ' CD1' ' A' ' 156' ' ' ILE . 1.2 mm -70.62 -41.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.861 ' CE ' ' OE2' ' A' ' 25' ' ' GLU . 6.1 mttt -59.35 -31.35 69.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.0 t -74.34 -66.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.057 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.759 ' CH2' HG21 ' A' ' 51' ' ' ILE . 50.7 t90 -44.06 -53.02 6.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 107.942 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.762 HG22 ' CD1' ' A' ' 22' ' ' ILE . 13.7 t -51.2 -51.85 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.54 -32.29 62.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.3 -44.76 74.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.422 1.076 . . . . 0.0 110.307 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.569 HD13 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -65.35 -53.73 39.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.242 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.619 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -59.51 -33.28 71.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -67.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.493 ' HG2' ' CG1' ' A' ' 117' ' ' VAL . 1.6 tp10 -60.67 -57.48 12.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.345 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.745 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 11.0 m-30 -37.57 -61.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.457 ' CB ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -175.31 48.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.69 161.26 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.528 ' HA3' ' O ' ' A' ' 32' ' ' THR . . . -169.86 -144.52 4.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -153.78 127.86 9.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.231 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.583 ' CD1' HD11 ' A' ' 50' ' ' LEU . 8.5 m-85 -126.14 141.93 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -132.98 166.5 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 110.956 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.476 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 m -55.31 -36.61 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' CB ' HD13 ' A' ' 33' ' ' LEU . . . -51.55 -45.76 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -34.74 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -61.3 -56.68 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.574 HD11 ' CG2' ' A' ' 160' ' ' VAL . 6.8 tp -54.83 -42.15 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.498 ' C ' ' CD ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -51.77 -51.41 56.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.456 ' N ' ' CD ' ' A' ' 23' ' ' ARG . 35.6 t0 -63.94 -37.48 87.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.474 ' HB3' HG13 ' A' ' 160' ' ' VAL . 59.0 mm-40 -58.38 -49.99 75.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.629 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 1.7 m-85 -49.7 -21.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.19 -46.29 2.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -90.83 -172.14 3.26 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.405 0.709 . . . . 0.0 109.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 28.4 t0 -95.8 0.55 52.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.457 HG12 ' CB ' ' A' ' 2' ' ' LYS . 1.6 m -59.52 99.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 29' ' ' ASP . 0.7 OUTLIER -155.68 98.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.528 ' O ' ' HA3' ' A' ' 5' ' ' GLY . 11.4 p -129.56 99.1 5.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -104.63 158.32 16.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.426 ' C ' ' N ' ' A' ' 36' ' ' VAL . 37.5 p-80 -39.21 -30.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.596 1.185 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -39.09 -31.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 34' ' ' HIS . 31.5 m -79.9 55.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -71.89 -4.99 31.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -5.47 32.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.486 ' CB ' ' OD2' ' A' ' 43' ' ' ASP . . . -133.0 143.39 49.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.16 -169.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 5.5 m -67.5 -11.7 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.0 t -56.0 -29.04 59.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.611 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -61.85 -53.19 59.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.585 HD12 ' CE1' ' A' ' 78' ' ' PHE . 3.3 pp -72.25 -23.04 61.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.439 ' N ' HD11 ' A' ' 44' ' ' LEU . 54.5 t30 -67.07 -33.24 75.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -76.71 -41.27 45.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.619 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.49 111.68 23.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.64 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.5 pt20 -87.86 40.86 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.64 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -147.69 110.48 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 7' ' ' PHE . 37.4 mt -153.64 140.84 19.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.467 HG22 ' CH2' ' A' ' 159' ' ' TRP . 2.7 mt -96.16 162.3 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 109.277 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 74' ' ' ASP . 26.1 tt0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.63 ' CD2' ' CD1' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -44.6 -27.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 72' ' ' GLU . 31.4 t70 -49.1 -23.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -57.64 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.5 t -51.35 142.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.412 1.07 . . . . 0.0 109.265 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -88.84 62.41 6.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.585 ' CE1' HD12 ' A' ' 44' ' ' LEU . 1.7 m-30 -50.92 120.78 5.16 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.54 127.51 49.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.6 14.71 29.81 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.574 ' HD2' ' CD1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -73.75 169.83 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.57 ' C ' ' CD1' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -118.55 131.33 56.22 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.416 1.073 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 3.0 t -135.89 132.53 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.483 ' HA ' ' CG1' ' A' ' 117' ' ' VAL . . . -101.36 162.84 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -132.88 131.96 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 111.053 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.63 ' CD1' ' CD2' ' A' ' 73' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.545 ' HG ' ' NE2' ' A' ' 111' ' ' GLN . 0.8 OUTLIER -60.31 -61.59 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.389 1.055 . . . . 0.0 110.0 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.545 ' NE2' ' HG ' ' A' ' 110' ' ' SER . 3.8 mp0 -69.26 -32.22 71.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -63.1 -40.55 97.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.71 69.64 0.09 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 110' ' ' SER . . . 164.01 -152.2 21.92 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 146.61 37.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.767 . . . . 0.0 109.235 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.462 ' OG1' ' CB ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -112.28 127.43 55.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.656 ' CG1' ' CZ ' ' A' ' 167' ' ' PHE . 14.6 p -115.24 132.32 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.465 ' HB2' ' CD ' ' A' ' 157' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -75.84 -32.37 59.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.49 -52.43 46.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.465 ' CD ' ' HB2' ' A' ' 154' ' ' ASP . 0.0 OUTLIER -50.19 -30.87 12.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 t -73.45 -45.34 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.573 ' CH2' HD11 ' A' ' 163' ' ' LEU . 92.1 t90 -61.17 -55.42 32.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.126 . . . . 0.0 107.998 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.629 ' CG2' ' CD1' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -57.23 -47.96 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.474 ' N ' ' CG1' ' A' ' 160' ' ' VAL . . . -57.51 -32.38 66.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -65.89 -41.06 92.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.573 HD11 ' CH2' ' A' ' 159' ' ' TRP . 0.4 OUTLIER -67.08 -53.37 31.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.571 ' HA ' ' HZ1' ' A' ' 164' ' ' LYS . 0.2 OUTLIER -58.18 -38.75 77.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.586 1.179 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 17.8 m -56.87 -65.41 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.085 . . . . 0.0 110.033 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.473 ' CB ' HG23 ' A' ' 117' ' ' VAL . 2.7 mm-40 -53.44 -55.37 25.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.656 ' CZ ' ' CG1' ' A' ' 117' ' ' VAL . 21.5 m-30 -57.19 -18.2 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 110.952 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.88 66.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.206 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.422 ' CD1' HG22 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -73.74 147.74 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.587 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -139.61 -179.25 17.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.14 117.19 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 10.2 m-85 -127.65 133.29 49.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -132.75 177.93 7.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.609 1.193 . . . . 0.0 111.013 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 23.9 m . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.16 -47.34 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.56 -27.6 11.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.02 -38.71 61.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 17' ' ' SER . 2.2 mp -69.3 -56.16 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.507 ' CD1' HG23 ' A' ' 160' ' ' VAL . 3.9 tp -58.67 -33.49 49.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.568 1.168 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.456 ' CG ' HG22 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -61.79 -53.92 49.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.48 -24.58 67.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -75.28 -39.66 59.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.591 ' CE1' ' HD2' ' A' ' 164' ' ' LYS . 1.2 m-85 -77.18 1.94 16.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . 41.09 -162.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' GLY . 14.9 m-20 47.22 -172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.747 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -96.84 -6.29 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 7.7 m -57.88 98.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 76.0 t -157.04 81.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.587 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 22.0 p -116.5 98.85 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD2' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -119.09 167.4 11.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' VAL . 26.3 p-80 -39.64 -29.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' LEU . 6.3 t70 -38.41 -31.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.422 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' HIS . 14.8 m -86.93 47.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.5 p -55.1 -18.68 5.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -5.65 32.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.97 119.86 34.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.32 -168.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.474 HG23 ' CG2' ' A' ' 76' ' ' VAL . 1.6 m -63.9 -12.41 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 t -57.98 -27.72 63.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.545 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -71.18 -52.83 16.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 4.1 pp -66.0 -23.92 66.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.447 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -77.95 -31.09 50.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.601 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 30.6 t70 -70.54 -39.2 74.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.601 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -99.64 142.4 31.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.989 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.483 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -107.96 38.99 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.483 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -154.58 112.7 3.51 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.437 1.086 . . . . 0.0 111.057 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' A' ' 44' ' ' LEU . 15.6 mt -149.21 164.71 34.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 52' ' ' ILE . 2.7 mp -118.11 139.1 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.441 ' N ' HG21 ' A' ' 51' ' ' ILE . 1.5 mt . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 73' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -54.05 -27.07 30.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.421 ' N ' HD13 ' A' ' 73' ' ' LEU . 2.9 t70 -45.59 -26.34 0.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' LEU . 2.0 m-20 -87.93 -59.83 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 41' ' ' VAL . 85.6 t -42.81 152.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' N ' HG11 ' A' ' 76' ' ' VAL . 0.6 OUTLIER -95.35 66.81 2.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.58 ' CE2' ' HE3' ' A' ' 81' ' ' LYS . 2.0 m-30 -56.31 134.08 53.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -138.63 144.33 39.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 37.58 54.95 1.73 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.595 1.184 . . . . 0.0 110.974 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.58 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -122.89 171.14 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 0.813 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.517 ' HB2' ' CE1' ' A' ' 167' ' ' PHE . 1.2 pp -109.98 134.01 52.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.45 HG11 ' HZ1' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -132.61 119.81 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.89 114.02 27.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.678 ' CD2' ' O ' ' A' ' 117' ' ' VAL . 1.2 p90 -100.9 133.2 45.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.658 ' HB2' ' CZ2' ' A' ' 159' ' ' TRP . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.2 mm . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 m -40.8 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.74 -42.14 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -58.45 -48.8 79.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.224 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -44.28 -54.6 6.23 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.48 1.113 . . . . 0.0 111.07 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.15 -120.64 0.92 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.38 146.63 32.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 0.721 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -123.77 144.84 49.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.367 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.678 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 4.5 m -124.03 162.49 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.619 ' HA3' ' CZ ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 158' ' ' SER . 75.5 m-20 . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -69.82 -56.72 6.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 160' ' ' VAL . 1.0 OUTLIER -66.3 -39.51 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -31.23 71.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 154' ' ' ASP . 3.1 m -67.77 -73.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.658 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 20.0 t90 -42.64 -55.24 3.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 108.022 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.507 HG23 ' CD1' ' A' ' 22' ' ' ILE . 40.9 t -50.64 -53.71 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.53 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -53.29 -30.72 40.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 159' ' ' TRP . 4.2 mt-30 -73.33 -48.29 35.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.55 HD11 ' CH2' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -59.1 -56.53 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.591 ' HD2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -62.55 -30.99 71.71 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.526 1.142 . . . . 0.0 109.229 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.4 t -58.84 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.443 ' HB3' ' CG1' ' A' ' 117' ' ' VAL . 0.0 OUTLIER -45.07 -57.84 3.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 117' ' ' VAL . 22.5 m-30 -55.57 -21.23 16.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.064 . . . . 0.0 111.03 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.706 ' O ' ' C ' ' A' ' 3' ' ' LYS . 6.7 tttt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.706 ' C ' ' O ' ' A' ' 2' ' ' LYS . 1.9 tptm 6.02 75.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 2' ' ' LYS . 0.8 OUTLIER -76.98 137.58 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.528 ' CA ' ' OG1' ' A' ' 32' ' ' THR . . . -131.12 179.72 16.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -139.13 117.27 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.336 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.618 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 8.5 m-85 -122.89 122.84 39.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.737 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -126.95 150.57 49.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.08 -31.87 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -63.64 -27.3 69.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -38.64 62.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.47 ' CG2' ' OE1' ' A' ' 25' ' ' GLU . 2.7 mp -69.69 -56.65 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 19' ' ' ALA . 5.5 tp -57.3 -34.65 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.477 ' CG ' HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.58 -53.21 59.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.379 1.049 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.27 -38.47 65.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.522 ' OE2' ' CG2' ' A' ' 160' ' ' VAL . 16.4 mt-10 -62.45 -50.22 72.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.263 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -57.46 -52.65 64.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . 98.92 -81.96 0.58 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.441 1.088 . . . . 0.0 111.067 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.422 ' CB ' HG21 ' A' ' 30' ' ' VAL . 7.8 m-20 -39.3 157.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.62 -17.04 30.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 2.8 m -47.92 100.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.477 HG22 ' CG ' ' A' ' 23' ' ' ARG . 3.0 t -155.31 81.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.528 ' OG1' ' CA ' ' A' ' 5' ' ' GLY . 2.9 p -111.71 156.56 21.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.452 HD12 ' CB ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -158.97 164.0 35.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.097 . . . . 0.0 109.229 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.737 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -64.76 -11.48 37.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.587 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.501 ' N ' ' HD1' ' A' ' 34' ' ' HIS . 33.7 t0 -38.55 -31.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.364 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.9 m -80.7 54.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -68.11 -8.29 36.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.941 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -8.11 50.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.419 1.075 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.7 -171.59 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.373 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -106.24 -169.2 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -71.01 -10.87 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -55.57 -27.83 51.44 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.421 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -68.27 -54.19 19.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.618 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.9 pp -66.94 -23.43 65.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.425 ' HB2' ' CG2' ' A' ' 76' ' ' VAL . 43.9 t30 -74.94 -31.23 61.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -63.13 -39.89 96.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.26 144.73 29.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.62 1.2 . . . . 0.0 111.063 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.49 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -107.67 37.42 2.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.607 1.192 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -155.23 114.16 3.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.544 ' CD1' ' HB2' ' A' ' 44' ' ' LEU . 34.6 mt -149.43 165.39 32.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.475 ' CG1' ' HB2' ' A' ' 84' ' ' ALA . 2.7 mp -118.97 142.79 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.423 ' N ' HG23 ' A' ' 51' ' ' ILE . 2.0 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 75' ' ' ASP . 1.8 pt? -58.01 -26.22 62.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -45.4 -25.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.472 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 1.0 OUTLIER -91.05 -61.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.23 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.624 HG13 ' CE1' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -44.78 168.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.401 1.063 . . . . 0.0 109.257 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -123.53 66.53 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.624 ' CE1' HG13 ' A' ' 76' ' ' VAL . 4.4 m-30 -61.41 106.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 111.059 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -134.6 66.85 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.1 44.01 0.12 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.548 ' HD2' ' CG ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -134.36 166.97 21.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.554 ' CD1' ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -95.55 136.4 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 2.9 t -137.01 128.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.475 ' HB2' ' CG1' ' A' ' 51' ' ' ILE . . . -101.69 114.07 27.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -97.1 115.79 28.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.429 1.081 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.6 mm . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.453 ' CA ' ' OG1' ' A' ' 116' ' ' THR . 3.1 m -41.39 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.6 -45.43 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -59.05 -17.12 22.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -106.47 39.94 2.68 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.548 1.155 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 106.12 -112.14 3.81 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -126.69 147.69 49.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.453 ' OG1' ' CA ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -130.12 133.93 46.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.102 . . . . 0.0 110.368 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.06 146.09 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 23.7 ttt-85 -75.74 -56.65 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.35 -53.45 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.425 ' HZ1' ' HB1' ' A' ' 161' ' ' ALA . 0.0 OUTLIER -58.6 -30.34 67.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -67.82 -63.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.953 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.562 ' CH2' HD13 ' A' ' 163' ' ' LEU . 21.2 t90 -42.14 -56.74 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.522 ' CG2' ' OE2' ' A' ' 25' ' ' GLU . 25.6 t -51.67 -51.92 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.443 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -52.22 -31.96 34.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -71.95 -49.4 37.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 110.331 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.57 ' O ' ' CG ' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -59.74 -54.76 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -61.2 -36.44 79.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.7 OUTLIER -51.85 -62.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.906 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 167' ' ' PHE . 7.9 tp10 -67.88 -56.95 7.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.57 ' CG ' ' O ' ' A' ' 163' ' ' LEU . 11.4 m-30 -37.64 -46.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.568 1.167 . . . . 0.0 110.931 -179.873 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.24 36.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.513 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 3.3 mp -73.37 154.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.222 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.602 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -143.03 169.94 25.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.07 116.41 15.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.64 ' CD2' ' CD2' ' A' ' 44' ' ' LEU . 4.9 m-85 -118.04 119.1 33.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.572 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 1.4 p90 -124.99 179.87 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.106 0 O-C-N 124.488 1.117 . . . . 0.0 110.962 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.462 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 16.3 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 t -57.73 -41.36 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.283 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.25 -38.14 50.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -31.61 66.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.586 1.179 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.717 HG23 ' CD1' ' A' ' 156' ' ' ILE . 1.9 mp -68.87 -56.32 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.876 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 6.1 tp -55.54 -38.02 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.48 ' CG ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.07 -53.84 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.31 -20.63 65.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.813 ' OE2' ' CE ' ' A' ' 157' ' ' LYS . 5.2 mm-40 -76.69 -49.8 15.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.947 ' CE1' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -64.24 -10.33 22.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . 42.82 83.11 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 5.5 m-20 155.88 -174.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.584 0.814 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 31' ' ' VAL . 1.3 m-20 -82.56 -20.93 35.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.511 HG23 ' CD1' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -47.34 97.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 71.8 t -158.27 80.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.602 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 29.1 p -119.71 98.83 6.3 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.411 1.069 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -105.99 156.53 18.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.572 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -45.31 -26.04 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.532 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.461 ' CB ' HD13 ' A' ' 33' ' ' LEU . 3.7 t70 -38.19 -31.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' HIS . 9.7 p -76.67 56.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.1 t -74.05 -2.74 25.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.983 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.16 -5.5 32.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.591 1.182 . . . . 0.0 110.204 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.495 ' CB ' ' OD1' ' A' ' 43' ' ' ASP . . . -136.93 138.1 40.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -169.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 29.0 m -64.61 -12.33 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.8 p -59.07 -27.58 65.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.457 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.562 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -57.81 -53.71 55.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.64 ' CD2' ' CD2' ' A' ' 7' ' ' PHE . 3.6 pp -73.69 -23.08 59.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -66.26 -30.7 71.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.93 -36.89 80.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -96.34 130.34 43.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 111.016 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -90.25 29.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.603 1.189 . . . . 0.0 110.294 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -147.26 112.83 5.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 7' ' ' PHE . 4.3 mm? -134.53 161.26 35.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.595 1.184 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.567 HG21 ' CZ2' ' A' ' 159' ' ' TRP . 3.9 mp -128.89 148.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.557 HD13 ' CE1' ' A' ' 85' ' ' TYR . 1.6 pt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.446 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -54.15 -27.27 32.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' HD12 ' A' ' 73' ' ' LEU . 3.2 t70 -49.45 -23.82 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 73' ' ' LEU . 1.0 OUTLIER -90.39 -55.47 3.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.2 t -40.38 139.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.35 57.18 1.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.484 ' CE1' HD12 ' A' ' 44' ' ' LEU . 1.2 m-85 -55.68 110.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 111.031 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.08 58.54 0.23 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.438 ' HD2' ' CG ' ' A' ' 78' ' ' PHE . 2.0 mttt -93.85 172.01 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.766 HD12 ' CD2' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -94.9 131.47 40.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 2.8 t -132.97 148.07 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.691 ' HA ' ' CG1' ' A' ' 117' ' ' VAL . . . -115.38 136.47 53.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.557 ' CE1' HD13 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -117.15 112.44 20.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.071 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.545 ' HD2' ' CE2' ' A' ' 159' ' ' TRP . 5.4 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.467 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 20.7 mm . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.467 ' O ' ' CG2' ' A' ' 116' ' ' THR . 73.5 m -35.14 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.23 -30.99 13.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.35 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.29 19.67 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.226 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 109' ' ' ILE . . . -130.79 7.31 5.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.28 -119.84 4.51 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -113.08 158.74 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 0.713 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 110' ' ' SER . 1.4 p -133.69 133.51 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.691 ' CG1' ' HA ' ' A' ' 84' ' ' ALA . 4.7 p -100.09 148.89 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.466 ' HB3' ' CG ' ' A' ' 157' ' ' LYS . 14.3 m-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -75.9 -56.24 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.717 ' CD1' HG23 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -54.56 -32.3 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 109.246 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.813 ' CE ' ' OE2' ' A' ' 25' ' ' GLU . 9.8 mtpt -67.68 -39.79 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.3 p -69.31 -46.98 65.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 110.047 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.567 ' CZ2' HG21 ' A' ' 51' ' ' ILE . 18.8 t90 -60.19 -63.63 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.876 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 50.6 t -50.84 -32.42 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.385 1.053 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -70.71 -31.61 68.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -73.53 -55.85 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.566 ' O ' ' CG ' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -58.14 -53.9 52.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.947 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -58.77 -38.94 79.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.0 OUTLIER -52.85 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -48.29 -59.72 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.356 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.766 ' CD2' HD12 ' A' ' 82' ' ' LEU . 17.4 m-30 -47.28 -23.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.467 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 8.9 tttt -174.8 66.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.413 ' CG2' HD12 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -73.91 146.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.335 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.546 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -138.45 -179.14 16.88 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.65 115.9 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.689 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 7.5 m-85 -127.45 118.88 24.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.742 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -120.22 179.95 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.947 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.0 -31.78 52.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.66 -27.11 10.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 109.235 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.9 -42.22 40.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.093 . . . . 0.0 110.276 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 1.7 mp -65.19 -53.33 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 19' ' ' ALA . 4.4 tp -59.89 -40.74 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.468 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.53 -54.27 48.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.587 1.179 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -22.17 66.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 160' ' ' VAL . 4.3 mm-40 -77.77 -50.06 13.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.474 ' CZ ' HD12 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -60.12 -13.76 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.9 -172.21 15.72 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.4 ' CB ' HG22 ' A' ' 30' ' ' VAL . 2.4 m120 47.24 -172.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.09 -6.52 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 1.3 m -52.48 99.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.468 HG21 ' CG ' ' A' ' 23' ' ' ARG . 66.6 t -156.46 83.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.546 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 36.7 p -115.96 99.92 7.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.52 ' CD1' ' CB ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -102.09 166.48 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.742 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -69.32 -8.59 47.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.52 ' CB ' ' CD1' ' A' ' 33' ' ' LEU . 8.3 t70 -39.75 -30.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' A' ' 34' ' ' HIS . 10.6 m -86.15 52.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.3 t -64.76 -11.25 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.023 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -5.48 32.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.95 -171.6 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.386 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -101.46 -174.76 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.47 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 3.7 m -78.58 -12.18 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 t -58.5 -28.09 65.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.408 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.545 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -58.41 -52.35 65.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.689 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.7 pp -74.06 -45.43 49.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.542 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -46.44 -29.66 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.265 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.536 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 98.2 m-20 -65.94 -45.46 81.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.633 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.13 145.85 26.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.426 1.079 . . . . 0.0 110.99 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.664 ' N ' HE21 ' A' ' 48' ' ' GLN . 0.0 OUTLIER -108.27 28.28 8.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.225 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.598 ' CE1' ' HG2' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -138.34 111.99 8.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.579 HD21 ' CE1' ' A' ' 7' ' ' PHE . 13.6 mt -148.68 165.9 29.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 109.394 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.474 HD12 ' CZ ' ' A' ' 26' ' ' PHE . 2.8 mp -122.0 145.69 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' HG21 ' A' ' 51' ' ' ILE . 3.7 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' N ' HG12 ' A' ' 41' ' ' VAL . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.434 ' C ' ' N ' ' A' ' 75' ' ' ASP . 1.7 pt? -53.4 -26.43 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -45.41 -25.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.456 ' CB ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -95.08 -53.78 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.617 HG13 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -47.88 174.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.373 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.06 70.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.644 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 5.4 m-30 -65.21 122.28 16.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -140.89 79.25 1.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.412 ' HA2' ' N ' ' A' ' 114' ' ' GLY . . . 108.46 59.38 0.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.411 1.069 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.644 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -134.58 172.82 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.552 ' C ' ' CD1' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -101.4 135.08 43.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 3.5 t -136.85 132.96 48.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.443 ' CB ' HG12 ' A' ' 51' ' ' ILE . . . -101.78 147.63 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -115.65 119.77 37.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 159' ' ' TRP . 76.8 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.541 ' CG2' ' HE2' ' A' ' 81' ' ' LYS . 1.8 mp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.461 ' HB3' ' CG2' ' A' ' 116' ' ' THR . 0.0 OUTLIER -53.21 -57.06 11.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.014 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -81.16 -2.52 48.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 110.245 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.436 ' CB ' ' HA ' ' A' ' 109' ' ' ILE . 1.1 ttt85 -75.2 -48.85 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.19 126.51 0.95 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.362 1.039 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 128.22 -144.98 15.7 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.16 146.5 45.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.608 0.828 . . . . 0.0 109.286 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.461 ' CG2' ' HB3' ' A' ' 110' ' ' SER . 12.5 p -120.54 122.51 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.656 ' CG1' ' CE1' ' A' ' 167' ' ' PHE . 9.3 p -100.05 129.68 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.426 ' HB3' ' CG ' ' A' ' 157' ' ' LYS . 28.0 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -50.13 27.61 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.618 1.199 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.51 ' O ' ' CG2' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.84 -40.93 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 156' ' ' ILE . 4.4 mttm -56.58 -32.09 64.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 159' ' ' TRP . 0.5 OUTLIER -76.84 -71.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 86' ' ' PHE . 27.9 t90 -42.16 -56.7 2.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 108.031 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 156' ' ' ILE . 85.4 t -50.46 -52.1 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -54.03 -31.34 51.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -72.76 -47.97 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.563 HD13 ' CH2' ' A' ' 159' ' ' TRP . 0.7 OUTLIER -59.23 -54.67 44.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 168' ' ' GLY . 0.0 OUTLIER -63.97 -34.33 77.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.37 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.9 OUTLIER -53.03 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -52.62 -59.14 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 0.0 110.25 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.656 ' CE1' ' CG1' ' A' ' 117' ' ' VAL . 15.1 m-30 -46.56 -23.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.423 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -173.07 65.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 mp -73.86 152.82 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.573 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -143.76 178.85 21.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.56 115.79 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 0.776 . . . . 0.0 109.231 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 6.7 m-85 -124.06 113.58 18.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.59 ' OH ' ' CE1' ' A' ' 34' ' ' HIS . 0.6 OUTLIER -122.75 179.93 4.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 111.089 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.558 1.162 . . . . 0.0 110.951 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.469 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -31.82 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' O ' ' CG2' ' A' ' 22' ' ' ILE . . . -53.62 -50.03 66.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 109.233 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.34 -30.28 71.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -65.09 -56.26 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.157 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 7.1 tp -54.46 -44.43 67.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.163 . . . . 0.0 109.388 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.589 HH21 ' CD2' ' A' ' 33' ' ' LEU . 74.7 mtt180 -52.81 -50.52 63.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -56.44 -38.55 71.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.593 ' OE1' ' HE3' ' A' ' 157' ' ' LYS . 33.4 mm-40 -63.36 -50.06 71.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 1.194 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 2.1 m-85 -62.42 -44.84 95.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . 86.87 -167.48 38.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.557 1.161 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' GLY . 7.5 m-20 46.86 -171.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 0.723 . . . . 0.0 109.24 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -90.38 -6.52 54.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 3.3 m -65.23 99.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.489 ' CG1' ' HG2' ' A' ' 23' ' ' ARG . 20.9 m -156.27 81.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.573 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 34.9 p -118.2 100.14 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.355 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.589 ' CD2' HH21 ' A' ' 23' ' ' ARG . 0.2 OUTLIER -107.29 161.22 14.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.59 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -51.25 -21.82 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.691 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -39.22 -30.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.541 1.151 . . . . 0.0 109.23 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 34' ' ' HIS . 10.9 m -78.37 55.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.0 t -74.13 -3.03 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.052 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -14.08 62.17 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.54 -171.64 1.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -104.82 173.31 6.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.236 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.469 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 7.5 m -53.73 -20.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.404 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 43' ' ' ASP . 13.2 t -53.64 -30.25 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.599 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -49.49 -49.24 46.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -76.26 -38.94 55.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -46.16 -29.14 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.479 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 99.4 m-20 -78.12 -45.94 22.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.63 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -95.17 120.73 35.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.708 ' N ' HE21 ' A' ' 48' ' ' GLN . 0.0 OUTLIER -93.95 36.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.61 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -145.37 113.05 6.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.577 HD22 ' CD1' ' A' ' 7' ' ' PHE . 69.1 mt -150.74 164.26 36.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.868 HG21 HD11 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -118.13 159.51 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.476 ' CG2' ' O ' ' A' ' 7' ' ' PHE . 1.4 pt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 109.31 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -53.95 -26.32 24.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.419 ' N ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -45.58 -26.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 73' ' ' LEU . 4.1 m-20 -99.62 -33.87 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.1 t -75.24 138.14 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.414 1.071 . . . . 0.0 109.348 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.03 51.16 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.621 ' CD2' ' HG3' ' A' ' 81' ' ' LYS . 1.1 m-30 -50.69 97.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.643 ' HA ' ' HA2' ' A' ' 113' ' ' GLY . 1.7 m-80 -133.82 60.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.42 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . 137.04 58.46 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.621 ' HG3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -142.04 168.37 19.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.949 HD12 ' CE1' ' A' ' 167' ' ' PHE . 0.2 OUTLIER -97.99 129.11 44.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -137.29 130.59 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.861 ' HA ' ' CG1' ' A' ' 117' ' ' VAL . . . -101.56 142.04 33.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.55 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 0.1 OUTLIER -121.58 144.82 48.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 1.146 ' CD2' ' CD1' ' A' ' 159' ' ' TRP . 5.8 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.2 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 116' ' ' THR . 4.5 m -39.43 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.944 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -93.32 -44.18 8.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -29.1 66.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.643 ' HA2' ' HA ' ' A' ' 79' ' ' ASN . . . -83.29 45.81 3.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.621 1.201 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.42 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 82.61 -112.48 3.52 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.46 146.61 51.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -117.81 122.03 42.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 110.401 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.861 ' CG1' ' HA ' ' A' ' 84' ' ' ALA . 5.1 p -103.62 176.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . 0.504 ' HA3' ' O ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.529 0.929 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -75.82 -45.79 34.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.392 1.057 . . . . 0.0 110.26 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.471 HG12 ' N ' ' A' ' 157' ' ' LYS . 0.2 OUTLIER -51.46 -41.99 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.593 ' HE3' ' OE1' ' A' ' 25' ' ' GLU . 12.5 mttp -68.45 -30.65 69.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.222 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -55.73 10.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.423 1.077 . . . . 0.0 109.952 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 1.146 ' CD1' ' CD2' ' A' ' 86' ' ' PHE . 38.9 t90 -63.26 -53.7 48.76 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 1.157 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 51.7 t -50.67 -50.01 23.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 157' ' ' LYS . . . -63.57 -31.42 72.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 166' ' ' GLU . 1.8 tt0 -58.62 -56.42 22.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.33 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.868 HD11 HG21 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -74.35 -54.68 7.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 1.194 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 21.1 mmmt -44.34 -59.49 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 39.9 m -55.28 -46.67 76.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.504 ' CD ' ' CG2' ' A' ' 117' ' ' VAL . 0.4 OUTLIER -54.93 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.949 ' CE1' HD12 ' A' ' 82' ' ' LEU . 15.2 m-85 -40.42 -31.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.394 1.059 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.506 ' HG2' ' CG ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -176.29 66.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.57 HD12 ' CE1' ' A' ' 26' ' ' PHE . 1.7 mp -73.61 150.07 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.556 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -139.5 -178.18 16.35 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.542 1.151 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -138.63 116.43 11.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.588 ' CD2' HD22 ' A' ' 44' ' ' LEU . 39.9 m-85 -132.48 118.59 19.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -129.85 179.93 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 4.4 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 19' ' ' ALA . 29.3 m -55.15 -47.78 76.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 109.382 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 23' ' ' ARG . . . -51.64 -28.1 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.29 -38.44 60.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.555 HG21 HD13 ' A' ' 156' ' ' ILE . 3.1 mp -71.13 -55.72 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.226 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.686 ' CD1' HG22 ' A' ' 160' ' ' VAL . 1.4 tp -58.61 -33.33 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.51 ' CD ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -69.19 -56.92 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.067 . . . . 0.0 110.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 23' ' ' ARG . 4.5 t0 -70.02 -16.98 63.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 21' ' ' ILE . 16.3 tp10 -79.5 -49.86 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CE1' ' HD3' ' A' ' 164' ' ' LYS . 0.3 OUTLIER -46.79 -23.18 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 111.006 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.09 -45.58 1.55 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.388 1.055 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -95.49 -153.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.374 0.691 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.479 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 79.0 m-20 -110.98 2.47 18.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 1.8 m -62.47 99.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -156.92 89.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.605 1.191 . . . . 0.0 109.31 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.556 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 40.6 p -121.29 99.88 6.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.067 . . . . 0.0 110.42 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.512 ' CD1' ' CB ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -111.55 165.96 11.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.376 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.606 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -56.28 -20.96 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.681 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.512 ' CB ' ' CD1' ' A' ' 33' ' ' LEU . 4.6 t70 -39.12 -30.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 34' ' ' HIS . 15.1 m -85.03 49.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 t -58.13 -15.99 11.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -71.0 -5.63 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.42 -171.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -108.82 170.24 8.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 2.8 p -65.4 -11.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.466 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 4.9 p -57.43 -27.59 62.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.602 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -50.96 -53.8 29.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.588 HD22 ' CD2' ' A' ' 7' ' ' PHE . 3.1 pp -77.14 -34.76 56.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.225 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 57.9 t30 -47.45 -31.06 3.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -40.33 15.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.634 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -96.12 111.94 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.584 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.5 pt20 -86.58 40.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.584 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -147.85 113.02 5.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' A' ' 7' ' ' PHE . 2.8 mt -146.65 165.23 30.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.618 HG22 ' CZ2' ' A' ' 159' ' ' TRP . 1.2 mm -117.02 159.51 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.406 1.066 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.475 ' CD1' ' CG2' ' A' ' 109' ' ' ILE . 2.6 pp -53.54 -27.11 24.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.29 -21.53 63.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -77.93 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.061 . . . . 0.0 109.28 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.6 HG22 ' CE1' ' A' ' 78' ' ' PHE . 3.3 m -62.98 141.15 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.8 57.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.6 ' CE1' HG22 ' A' ' 76' ' ' VAL . 1.0 OUTLIER -58.85 127.23 31.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 111.091 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.2 m-80 -139.56 155.38 47.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 36.72 32.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.587 ' HZ2' ' N ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -93.58 170.62 9.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 0.718 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.659 HD11 ' CE1' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -110.68 129.66 55.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.587 ' N ' ' HZ2' ' A' ' 81' ' ' LYS . 1.4 t -135.2 123.56 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.05 138.94 38.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.47 ' CD1' ' CD1' ' A' ' 52' ' ' ILE . 0.6 OUTLIER -113.92 145.19 41.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.731 ' CD1' ' CD1' ' A' ' 159' ' ' TRP . 6.8 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.475 ' CG2' ' CD1' ' A' ' 73' ' ' LEU . 1.9 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.53 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.41 -42.09 9.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' GLY . 11.3 ttp180 -58.56 -48.16 81.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -36.9 -55.42 1.41 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.92 -118.0 0.74 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -104.85 146.43 29.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -125.85 125.98 43.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.47 ' HB ' ' CG ' ' A' ' 166' ' ' GLU . 0.7 OUTLIER -96.73 144.41 10.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.369 1.043 . . . . 0.0 111.013 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.455 ' HB2' ' CD ' ' A' ' 157' ' ' LYS . 3.4 p-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.4 ttp-105 -75.88 -56.63 4.49 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.555 HD13 HG21 ' A' ' 21' ' ' ILE . 1.7 pp -59.17 -42.86 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 161' ' ' ALA . 3.8 pttt -62.71 -31.8 72.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.07 -56.86 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.731 ' CD1' ' CD1' ' A' ' 86' ' ' PHE . 51.7 t90 -55.96 -59.37 5.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 108.038 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.686 HG22 ' CD1' ' A' ' 22' ' ' ILE . 54.1 t -51.21 -35.46 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 157' ' ' LYS . . . -69.08 -31.65 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 166' ' ' GLU . 24.4 tt0 -69.04 -35.99 77.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.528 HD13 HG22 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -76.32 -53.67 7.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.76 ' HA ' ' HZ1' ' A' ' 164' ' ' LYS . 0.1 OUTLIER -58.08 -41.03 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 33.3 m -62.19 -67.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.47 ' CG ' ' HB ' ' A' ' 117' ' ' VAL . 3.8 mm-40 -45.11 -55.95 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.659 ' CE1' HD11 ' A' ' 82' ' ' LEU . 22.2 m-30 -60.81 -23.07 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 165' ' ' SER . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.707 ' O ' ' C ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.707 ' C ' ' O ' ' A' ' 2' ' ' LYS . 12.5 ttmt 4.88 75.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -74.18 146.42 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.569 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -145.75 -172.55 16.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.584 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.95 130.02 15.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 0.804 . . . . 0.0 109.251 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.659 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 11.2 m-85 -130.33 123.49 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -123.89 179.91 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.088 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.476 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 2.5 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.2 m -55.34 -36.31 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.446 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -65.35 -27.5 68.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.93 -45.75 56.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 17' ' ' SER . 3.5 mp -59.84 -53.54 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' CG2' ' HA ' ' A' ' 19' ' ' ALA . 2.2 tp -54.68 -54.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.492 ' C ' ' CD ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -49.74 -49.92 46.32 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.419 1.075 . . . . 0.0 110.299 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -64.6 -25.59 68.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.678 ' HG3' ' HB ' ' A' ' 156' ' ' ILE . 4.5 mm-40 -77.01 -50.06 13.98 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CE1' HD11 ' A' ' 4' ' ' ILE . 1.1 m-85 -52.36 -20.22 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 -77.65 1.27 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.36 1.037 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.446 ' CB ' HG21 ' A' ' 30' ' ' VAL . 4.2 m-80 -43.58 165.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.475 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 2.6 m-20 -75.61 -2.98 31.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.472 HG23 ' CD1' ' A' ' 4' ' ' ILE . 3.5 m -63.99 100.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -155.0 88.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.569 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 66.8 p -117.73 116.57 27.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.474 ' CB ' HD23 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -112.52 156.77 22.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.411 1.069 . . . . 0.0 109.328 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -79.51 2.99 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.632 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' HIS . 25.2 t70 -36.93 -33.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' HIS . 22.4 m -85.41 48.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.7 p -50.42 -20.77 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.907 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -6.14 31.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 110.371 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.16 -171.34 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.71 159.69 15.41 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 110.231 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.554 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 2.5 m -65.46 -11.67 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.195 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 t -53.59 -26.98 24.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.388 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -66.61 -53.61 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.659 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.7 pp -69.83 -23.23 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -75.66 -30.21 59.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 20.6 m-20 -67.1 -39.47 86.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.639 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.18 143.35 31.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -108.19 39.77 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -154.7 111.56 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.513 ' CD1' ' HB2' ' A' ' 44' ' ' LEU . 14.4 mt -147.78 165.54 30.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 3.3 mp -129.87 160.43 40.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.613 1.196 . . . . 0.0 109.311 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.9 mm . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.555 HD11 HD12 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -51.31 -25.73 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.597 ' HA ' HD13 ' A' ' 109' ' ' ILE . 0.4 OUTLIER -61.55 -20.33 63.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 76' ' ' VAL . 5.5 m-20 -78.39 -65.34 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.614 HG23 ' CE1' ' A' ' 78' ' ' PHE . 10.5 m -44.14 166.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -101.79 52.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.358 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.614 ' CE1' HG23 ' A' ' 76' ' ' VAL . 1.8 m-85 -47.54 131.52 14.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' GLY . 1.3 m-80 -139.61 150.13 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 79' ' ' ASN . . . 37.04 46.11 1.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.865 ' HZ1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.08 172.69 7.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.722 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.543 HD13 ' CZ ' ' A' ' 167' ' ' PHE . 1.1 pp -114.88 133.76 55.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.865 HG22 ' HZ1' ' A' ' 81' ' ' LYS . 9.5 m -134.85 121.58 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -102.11 161.2 13.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.67 125.34 41.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.421 ' HA ' ' CZ2' ' A' ' 159' ' ' TRP . 1.6 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.597 HD13 ' HA ' ' A' ' 74' ' ' ASP . 54.3 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.0 m -40.23 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.34 -48.09 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.9 mmm-85 -58.78 -21.4 55.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.477 ' O ' ' HE3' ' A' ' 81' ' ' LYS . . . -94.67 -25.96 14.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.407 1.067 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.37 -126.15 1.57 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.82 146.52 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 12.6 t -130.41 133.11 46.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.415 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 166' ' ' GLU . 9.3 m -120.74 141.39 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.568 1.167 . . . . 0.0 110.975 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . 0.466 ' HB3' ' CD ' ' A' ' 157' ' ' LYS . 6.2 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.13 -32.09 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.24 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.678 ' HB ' ' HG3' ' A' ' 25' ' ' GLU . 8.7 pt -72.05 -39.66 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.466 ' CD ' ' HB3' ' A' ' 154' ' ' ASP . 0.0 OUTLIER -60.48 -35.58 76.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.128 . . . . 0.0 109.355 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 33.3 t -73.38 -65.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.574 ' CZ3' HD12 ' A' ' 163' ' ' LEU . 47.4 t90 -43.49 -53.01 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.653 ' CG2' ' HB3' ' A' ' 25' ' ' GLU . 65.9 t -51.57 -51.84 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 165' ' ' SER . . . -55.19 -31.98 61.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.43 68.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.574 HD12 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -63.25 -53.87 46.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.716 ' HA ' ' HZ1' ' A' ' 164' ' ' LYS . 0.1 OUTLIER -62.05 -29.45 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.241 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -59.93 -63.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.045 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.471 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -67.83 -55.84 11.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 163' ' ' LEU . 10.1 m-30 -37.11 -54.59 0.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.547 1.155 . . . . 0.0 110.994 -179.908 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.481 ' HG2' ' CG ' ' A' ' 47' ' ' TYR . 3.0 ttmt -169.43 51.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -72.96 165.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.63 ' HA3' ' O ' ' A' ' 32' ' ' THR . . . -170.76 -153.09 8.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -149.01 126.04 11.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.274 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.669 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 13.7 m-85 -128.25 112.51 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.596 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -146.6 110.07 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 8.0 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.07 -39.65 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.72 74.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -37.85 87.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.521 ' CG2' HD12 ' A' ' 156' ' ' ILE . 2.0 mp -63.33 -58.35 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.439 HD12 HG22 ' A' ' 160' ' ' VAL . 7.0 tp -53.98 -48.75 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.473 ' CD ' ' HB ' ' A' ' 31' ' ' VAL . 43.5 mtm180 -54.02 -41.97 68.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -30.06 63.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.517 ' HB3' ' CG2' ' A' ' 160' ' ' VAL . 3.4 mm-40 -66.87 -51.29 57.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.768 ' CE2' ' CE ' ' A' ' 164' ' ' LYS . 1.3 m-85 -44.62 -32.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.76 70.83 0.86 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.456 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER 171.55 162.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -62.47 -13.98 36.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 28' ' ' ASN . 16.8 m -70.32 97.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.473 ' HB ' ' CD ' ' A' ' 23' ' ' ARG . 17.2 m -157.22 80.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.63 ' O ' ' HA3' ' A' ' 5' ' ' GLY . 37.2 p -123.2 95.85 4.77 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.512 1.133 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -113.84 174.22 6.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 35' ' ' ASP . 17.5 p-80 -38.24 -30.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.584 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' A' ' 34' ' ' HIS . 3.9 t70 -33.34 -39.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' HIS . 33.3 m -80.85 52.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.0 p -73.2 -21.39 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.06 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -30.88 67.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.47 131.69 36.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.58 175.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.503 HG21 ' CG ' ' A' ' 44' ' ' LEU . 4.4 p -61.0 -13.83 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.428 ' O ' ' HB3' ' A' ' 45' ' ' ASN . 6.4 t -55.37 -25.81 37.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.66 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -61.03 -55.9 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.669 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.1 pp -69.04 -28.22 66.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 42' ' ' THR . 13.2 t30 -56.15 -40.49 73.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.587 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -75.83 -31.37 59.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.66 ' CD2' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -117.11 71.18 0.79 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.549 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.14 62.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.549 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 1.0 OUTLIER -158.27 105.37 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.546 HD11 ' CD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -158.47 165.36 34.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.434 ' CG1' ' HB2' ' A' ' 84' ' ' ALA . 2.4 mt -98.39 159.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 75' ' ' ASP . 1.1 pp -51.94 -25.04 7.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.508 ' HA ' ' CD1' ' A' ' 109' ' ' ILE . 3.2 t0 -50.67 -21.11 1.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -76.87 -62.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.233 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.626 HG21 ' CE1' ' A' ' 78' ' ' PHE . 31.2 m -57.92 147.07 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 78' ' ' PHE . 6.9 m-20 -88.5 49.87 1.87 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.633 1.208 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.626 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.6 m-30 -35.92 113.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.11 128.68 30.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.416 ' CA ' ' HA3' ' A' ' 114' ' ' GLY . . . 67.63 9.35 55.44 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.618 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -77.6 176.1 9.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.582 0.813 . . . . 0.0 109.261 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.706 HD11 ' CE1' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -112.9 131.92 55.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.518 HG11 ' CD ' ' A' ' 81' ' ' LYS . 12.1 m -138.99 129.11 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.434 ' HB2' ' CG1' ' A' ' 51' ' ' ILE . . . -98.86 157.25 16.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -120.46 132.46 55.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.563 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.539 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 3.2 mp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 m -77.34 2.32 16.19 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.464 1.103 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -94.96 -63.16 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 113' ' ' GLY . 6.2 mtm105 -114.26 4.57 15.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.539 ' CA ' ' O ' ' A' ' 109' ' ' ILE . . . -26.54 -50.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.416 ' HA3' ' CA ' ' A' ' 80' ' ' GLY . . . 132.84 -101.73 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.46 145.35 39.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.793 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 2.0 t -143.76 136.53 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.591 HG13 ' CD1' ' A' ' 167' ' ' PHE . 1.5 m -115.92 128.44 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -48.83 15.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.354 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.521 HD12 ' CG2' ' A' ' 21' ' ' ILE . 6.0 pt -51.45 -54.53 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' LYS . . . . . 0.478 ' HA ' ' OE2' ' A' ' 25' ' ' GLU . 3.0 pttt -54.52 -35.94 63.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.33 -64.75 0.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.488 ' O ' ' CD2' ' A' ' 163' ' ' LEU . 23.0 t90 -47.18 -55.11 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.517 ' CG2' ' HB3' ' A' ' 25' ' ' GLU . 47.0 t -49.51 -57.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -50.5 -29.04 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' A' ' 166' ' ' GLU . 1.7 tt0 -70.06 -56.48 6.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.244 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.521 HD12 ' CE ' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -61.35 -57.24 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' LYS . . . . . 0.768 ' CE ' ' CE2' ' A' ' 26' ' ' PHE . 1.4 mmpt? -49.0 -56.38 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 168' ' ' GLY . 40.3 t -54.86 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.034 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 165' ' ' SER . 0.5 OUTLIER -31.74 -59.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' PHE . . . . . 0.706 ' CE1' HD11 ' A' ' 82' ' ' LEU . 8.2 m-85 -49.2 -47.25 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 165' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.42 1.075 . . . . 0.0 111.056 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -45.67 131.62 8.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.462 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.8 OUTLIER -174.92 70.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.155 . . . . 0.0 109.389 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.562 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -80.49 148.53 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.372 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.56 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -137.13 168.95 24.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.09 116.47 18.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.392 0.701 . . . . 0.0 109.318 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.611 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 8.0 m-85 -125.72 125.03 42.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.718 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -128.85 179.85 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.27 33.38 2.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.453 ' CG2' ' N ' ' A' ' 11' ' ' GLN . 3.5 m -152.56 170.71 19.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 0.802 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.453 ' N ' ' CG2' ' A' ' 10' ' ' THR . 0.0 OUTLIER -53.13 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.574 1.171 . . . . 0.0 110.273 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.2 m -93.67 -96.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.432 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.8 -133.17 1.71 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.434 1.084 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -129.65 24.32 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.731 . . . . 0.0 109.343 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 m -105.09 154.89 19.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.43 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -90.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -132.37 74.62 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 7.2 p -55.34 -38.31 47.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.87 -32.35 31.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -72.27 -47.37 50.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.546 ' CG2' HD12 ' A' ' 156' ' ' ILE . 1.7 mp -58.89 -56.36 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.524 HD12 ' CG2' ' A' ' 160' ' ' VAL . 2.3 tp -55.75 -36.76 44.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.543 ' NH1' ' OD1' ' A' ' 135' ' ' ASN . 0.4 OUTLIER -62.92 -44.69 95.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.35 -18.91 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.579 ' CG ' HD11 ' A' ' 156' ' ' ILE . 59.0 mm-40 -77.64 -49.74 13.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 4' ' ' ILE . 2.3 m-85 -53.15 -19.05 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 1.088 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.35 -71.38 2.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -59.54 -155.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.239 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -112.93 -7.74 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -48.29 100.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 HG23 ' CG ' ' A' ' 23' ' ' ARG . 55.8 t -154.64 86.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.56 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 62.3 p -114.4 99.55 7.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.401 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.17 166.25 11.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.718 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -77.41 0.47 22.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.658 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' HIS . 3.7 m-20 -38.79 -31.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' HIS . 13.8 p -86.35 47.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -54.31 -19.0 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.968 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -5.44 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.264 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.83 -171.52 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -101.8 161.85 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.177 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.534 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 11.3 p -65.25 -11.86 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.177 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.429 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 12.6 t -57.41 -26.99 61.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.555 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -55.09 -53.28 57.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.611 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 2.5 pp -75.89 -22.94 55.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.494 ' OD1' ' CG1' ' A' ' 76' ' ' VAL . 58.8 t30 -64.07 -30.76 71.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.19 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 6.6 m-20 -70.16 -37.77 75.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.666 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.83 147.93 22.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -107.87 36.28 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.252 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.471 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -154.66 113.61 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.567 HD13 ' CE1' ' A' ' 7' ' ' PHE . 3.9 mm? -139.75 164.01 31.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.448 HD13 ' CG2' ' A' ' 4' ' ' ILE . 2.7 mp -121.43 138.91 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.53 HG13 ' CD1' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -119.73 165.58 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.197 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.82 -68.54 0.77 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 m -137.13 153.94 75.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.29 35.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.3 p -76.52 171.96 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -112.6 80.6 1.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -143.14 96.32 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.363 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 60' ' ' GLY . 17.8 mt -93.64 161.09 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' N ' ' CG2' ' A' ' 59' ' ' ILE . . . 156.83 142.9 3.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -111.86 -3.18 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.79 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -166.15 -77.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.254 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -107.09 120.82 43.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.26 -58.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.67 117.57 9.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.6 m0 -99.24 -64.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 108.031 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.46 174.08 15.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.5 -175.4 14.5 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -147.3 68.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.645 0.85 . . . . 0.0 109.256 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.435 ' CG ' ' O ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER 179.96 157.91 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.178 . . . . 0.0 111.023 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.5 m -126.95 83.62 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -104.34 163.48 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -51.74 -27.26 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.89 -22.05 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.41 -51.48 5.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.534 ' CG2' ' CG2' ' A' ' 41' ' ' VAL . 86.3 t -40.41 153.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 109.295 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -84.61 50.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.602 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 2.2 m-30 -51.92 139.45 22.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -137.14 128.29 27.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 37.68 70.54 0.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.632 ' HZ1' ' CG2' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -129.85 170.91 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.731 ' CD1' ' CE1' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -102.51 134.41 45.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.573 1.17 . . . . 0.0 109.296 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.632 ' CG2' ' HZ1' ' A' ' 81' ' ' LYS . 7.0 t -135.29 114.68 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.512 ' HA ' ' CG2' ' A' ' 117' ' ' VAL . . . -102.15 123.21 45.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.53 ' CD1' HG13 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -97.07 154.98 17.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -37.78 -45.59 0.84 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 118' ' ' GLY . . . 122.18 -122.72 5.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.9 p -119.32 173.91 6.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 110.404 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.62 -61.03 0.04 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -179.94 79.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 0.729 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -173.93 166.62 4.35 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.7 tp -146.46 124.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.42 81.32 0.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.495 ' O ' ' CD1' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -45.73 130.61 9.23 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.473 0.749 . . . . 0.0 111.063 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -172.52 145.61 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.67 125.48 21.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.361 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.99 -67.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -179.98 -47.38 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.94 91.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.77 145.15 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.97 104.99 12.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.1 tt -173.78 122.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.97 -179.01 39.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.419 1.075 . . . . 0.0 110.982 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.72 134.68 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.89 -49.81 48.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -44.86 117.85 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -179.86 -50.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 112' ' ' ARG . 16.5 mtmt -150.69 166.87 29.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' A' ' 109' ' ' ILE . 1.0 OUTLIER -64.83 -47.11 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.426 ' CB ' HG23 ' A' ' 116' ' ' THR . 99.6 p -48.23 -45.71 34.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -86.1 -18.8 31.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.418 ' CB ' ' HA ' ' A' ' 109' ' ' ILE . 0.4 OUTLIER -58.98 -56.6 20.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.233 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . 178.21 111.81 0.31 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.35 -163.13 27.54 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 150.39 51.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 0.805 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.426 HG23 ' CB ' ' A' ' 110' ' ' SER . 17.9 p -126.71 131.76 51.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.406 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' A' ' 84' ' ' ALA . 12.4 m -115.74 156.94 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.405 ' O ' ' HA2' ' A' ' 87' ' ' GLY . . . -172.51 -45.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -78.69 162.82 25.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.493 ' CZ3' HG22 ' A' ' 122' ' ' THR . 2.3 p-90 -123.93 125.77 45.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.039 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.7 m -132.67 75.91 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.038 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.493 HG22 ' CZ3' ' A' ' 120' ' ' TRP . 72.7 p -54.5 163.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.354 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.1 -46.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -150.41 121.69 1.29 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -124.92 28.23 6.51 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.567 0.804 . . . . 0.0 110.986 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -90.9 60.34 4.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.374 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -115.04 -55.59 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 65.7 95.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 -101.99 171.87 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.4 83.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.063 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -82.49 78.05 9.18 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -54.8 110.4 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.6 tp -143.35 141.54 30.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.4 114.35 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.543 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -159.67 -66.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.181 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 132.03 163.71 10.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.577 1.173 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.16 123.03 22.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 0.73 . . . . 0.0 109.289 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -153.71 104.81 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 34.6 m -88.2 156.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 178.65 -169.47 41.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.71 178.32 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -171.85 126.72 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.1 tp -73.75 113.38 10.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -84.24 140.05 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -51.03 -52.32 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.362 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.8 148.72 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.8 -53.97 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -38.97 156.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.8 p -107.56 174.86 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.99 173.29 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.469 HD12 ' CZ ' ' A' ' 155' ' ' ARG . 1.6 mp -72.13 176.09 5.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.223 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 155' ' ' ARG . 5.9 t -50.69 175.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.616 1.197 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.34 -29.39 20.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -91.73 20.8 5.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.469 ' CZ ' HD12 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -64.27 -54.34 34.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.579 HD11 ' CG ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -52.24 -45.03 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.498 ' HG2' ' CD ' ' A' ' 25' ' ' GLU . 15.5 mtpt -61.19 -30.96 70.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.24 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -70.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 110.085 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.563 ' CH2' HD12 ' A' ' 163' ' ' LEU . 30.1 t90 -42.99 -52.3 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 108.076 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.527 ' CG2' ' HB3' ' A' ' 25' ' ' GLU . 45.4 t -51.62 -51.73 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.299 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.42 63.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -67.03 -48.18 69.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.563 HD12 ' CH2' ' A' ' 159' ' ' TRP . 0.4 OUTLIER -63.03 -53.6 51.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.473 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -59.02 -31.26 68.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -68.27 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.955 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.469 ' CG ' HG11 ' A' ' 117' ' ' VAL . 0.1 OUTLIER -60.66 -56.16 24.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.731 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 10.6 m-30 -37.41 -58.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 176.63 73.98 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.448 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . 5.0 mtpp -94.76 148.03 22.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.584 ' CE ' ' CZ ' ' A' ' 47' ' ' TYR . 10.0 tttp -174.93 55.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.48 ' CG2' HD11 ' A' ' 51' ' ' ILE . 1.9 mt -73.21 135.59 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.201 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.526 ' CA ' ' OG1' ' A' ' 32' ' ' THR . . . -139.1 166.47 25.43 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.555 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -114.6 116.72 29.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.589 0.817 . . . . 0.0 109.287 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.631 ' CD2' ' CD2' ' A' ' 44' ' ' LEU . 5.9 m-85 -119.15 114.71 22.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -123.81 179.91 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.076 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.15 -50.6 4.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.16 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -134.78 142.03 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.404 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.8 149.89 32.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 t -179.99 131.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.11 -164.21 26.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.445 1.091 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.93 -164.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.256 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.6 p -49.19 -60.1 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.423 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' SER . 1.3 mm-40 -83.62 106.19 15.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 110.319 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLU . 67.3 m -39.35 121.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.387 1.054 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.43 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 11.9 m -55.35 -36.64 41.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.7 -31.23 25.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -47.53 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.8 mp -59.16 -56.38 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.477 HD12 ' CZ3' ' A' ' 159' ' ' TRP . 2.2 tp -54.91 -39.55 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 16.0 ttp180 -59.72 -54.26 48.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 110.223 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.25 -18.31 64.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 160' ' ' VAL . 1.2 mm-40 -77.9 -50.02 13.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.476 ' CE2' HD13 ' A' ' 22' ' ' ILE . 3.1 m-85 -53.63 -53.42 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . 93.54 -73.39 1.23 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.578 1.173 . . . . 0.0 111.095 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.471 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 2.4 m-20 -38.64 152.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 0.718 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -48.04 -26.38 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 28' ' ' ASN . 4.5 m -48.26 101.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 23' ' ' ARG . 73.1 t -153.65 81.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.526 ' OG1' ' CA ' ' A' ' 5' ' ' GLY . 17.7 p -125.69 164.67 20.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.466 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.514 ' CD2' ' C ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -165.1 168.12 17.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.511 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 1.4 p-80 -63.06 -13.43 35.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -39.97 -30.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' OD2' ' A' ' 43' ' ' ASP . 30.8 m -80.55 53.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -69.69 -7.45 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -27.15 63.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.92 -171.61 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -105.09 -170.42 1.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.47 ' CG1' ' CA ' ' A' ' 71' ' ' SER . 10.2 m -65.3 -11.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.179 . . . . 0.0 109.26 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.6 t -61.25 -28.17 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.354 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.564 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -55.16 -53.67 53.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.631 ' CD2' ' CD2' ' A' ' 7' ' ' PHE . 3.8 pp -74.82 -40.12 61.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.445 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 59.9 t30 -47.41 -31.16 3.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.385 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.481 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -67.78 -42.65 81.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -98.29 126.42 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.558 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -86.36 17.87 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.558 ' CE1' ' HG2' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -130.02 111.01 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 110.942 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.558 HD11 ' CD1' ' A' ' 7' ' ' PHE . 4.1 mm? -138.12 157.63 45.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.493 HG21 ' CH2' ' A' ' 159' ' ' TRP . 2.7 mp -128.14 152.57 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.406 HD12 ' CE1' ' A' ' 85' ' ' TYR . 3.9 mt -124.98 117.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.567 ' HA2' ' CD1' ' A' ' 86' ' ' PHE . . . -139.33 76.66 0.34 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 m -175.63 154.65 1.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' C ' ' CG2' ' A' ' 56' ' ' THR . 18.2 Cg_endo -74.99 92.99 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 55' ' ' PRO . 40.2 p -149.44 80.82 1.4 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.573 1.171 . . . . 0.0 110.388 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.78 153.15 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -148.01 168.18 22.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.415 1.072 . . . . 0.0 109.359 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.2 tp -127.27 133.33 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.62 159.47 9.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.092 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.88 3.71 32.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 0.811 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' C ' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -122.82 -176.64 3.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.254 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -169.49 170.89 8.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.37 72.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.614 1.196 . . . . 0.0 110.019 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -139.49 179.22 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.22 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.437 ' O ' ' CG ' ' A' ' 67' ' ' GLU . 28.0 p90 -138.06 145.85 42.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.055 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 66' ' ' TRP . 12.9 mt-10 -160.43 177.69 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.36 75.92 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -176.95 142.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -155.3 47.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.614 1.196 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.47 ' CA ' ' CG1' ' A' ' 41' ' ' VAL . 2.1 p -138.76 40.36 2.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.405 ' C ' ' N ' ' A' ' 74' ' ' ASP . 4.3 tt0 -105.05 153.64 21.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -44.77 -27.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 72' ' ' GLU . 2.5 t70 -47.82 -24.82 1.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.55 -57.84 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.8 t -48.5 143.41 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 2.1 m-20 -93.01 63.81 3.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.566 1.167 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.458 ' HA ' ' CE ' ' A' ' 81' ' ' LYS . 2.2 m-30 -48.66 93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.076 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -95.09 104.51 16.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.37 66.07 2.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.458 ' CE ' ' HA ' ' A' ' 78' ' ' PHE . 8.2 mttm -135.99 162.86 31.68 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.528 0.781 . . . . 0.0 109.208 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.518 ' C ' ' CD1' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -99.9 128.0 46.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -130.42 134.33 62.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.452 ' HB1' ' CG1' ' A' ' 51' ' ' ILE . . . -102.59 152.91 20.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.406 ' CE1' HD12 ' A' ' 52' ' ' ILE . 2.0 m-85 -131.7 136.1 47.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 4.3 p90 -88.38 35.84 0.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.24 175.1 3.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.6 m -133.95 144.84 49.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.93 80.8 1.06 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -168.36 89.04 0.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.764 . . . . 0.0 109.262 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.52 -85.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.9 mt -110.82 148.29 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.587 ' O ' ' CD2' ' A' ' 94' ' ' TYR . . . 155.16 123.9 0.87 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 93' ' ' GLY . 4.9 m-85 -173.67 73.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 111.059 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 49.78 79.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -137.56 104.89 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.02 83.3 1.74 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -178.1 149.05 0.53 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -158.64 154.07 25.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.98 -64.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.2 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -125.47 133.65 52.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 pp -126.32 128.26 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.66 104.85 1.07 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.3 tp -173.88 136.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 mt -150.52 -69.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.36 117.93 14.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -179.95 -72.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.397 1.06 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.5 -167.9 2.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.462 HD12 ' CD2' ' A' ' 73' ' ' LEU . 1.9 mp -65.55 -38.51 82.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.606 1.192 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.4 ' HB3' ' CG2' ' A' ' 116' ' ' THR . 2.0 m -59.45 -70.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -53.41 -19.99 4.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -49.33 60.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.66 129.42 1.04 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 129.91 -134.18 7.76 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 146.44 30.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.4 ' CG2' ' HB3' ' A' ' 110' ' ' SER . 0.0 OUTLIER -125.27 122.47 37.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.648 ' CG1' ' CZ ' ' A' ' 167' ' ' PHE . 11.6 p -107.27 129.75 60.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' A' ' 119' ' ' TYR . . . 164.52 -88.03 0.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 118' ' ' GLY . 28.8 m-85 -169.47 112.05 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 0.783 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -140.41 138.4 34.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 108.047 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.26 138.21 58.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 109.987 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.8 p -57.65 -51.51 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -107.3 146.59 31.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -50.95 -74.96 0.24 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.94 122.87 34.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 110.982 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.86 118.38 16.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.95 117.44 25.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -171.22 163.44 7.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.387 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -87.45 155.33 20.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 86.1 p -123.16 172.83 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -152.71 142.53 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.37 179.32 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.92 60.51 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.9 57.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.229 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 60.0 171.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.42 -173.77 44.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 111.078 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -117.44 -56.77 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -40.24 153.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 3.2 m -92.94 -43.37 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.341 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 56.2 165.13 0.04 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.601 1.188 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.54 173.8 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.626 0.839 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -166.67 130.33 1.97 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.4 mp -106.78 -177.31 3.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -107.99 105.82 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -60.28 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.203 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.17 140.52 20.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -86.48 142.1 28.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.03 166.96 12.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 48.9 m -153.55 -175.11 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -163.9 166.78 21.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.92 129.32 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 2.3 p -153.86 160.86 42.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.39 1.056 . . . . 0.0 110.372 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 156' ' ' ILE . 7.7 t0 -87.07 -28.06 22.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.464 ' CB ' ' HD3' ' A' ' 157' ' ' LYS . 29.9 m-20 -95.83 22.56 7.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -51.52 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 153' ' ' ASP . 0.2 OUTLIER -51.91 -40.33 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.375 1.047 . . . . 0.0 109.337 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.464 ' HD3' ' CB ' ' A' ' 154' ' ' ASP . 2.6 pttp -64.13 -35.17 79.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 48.0 t -70.94 -61.21 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.493 ' CH2' HG21 ' A' ' 51' ' ' ILE . 24.1 t90 -51.8 -56.08 16.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 156' ' ' ILE . 61.1 t -50.84 -38.17 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -67.95 -31.5 71.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.36 -55.09 11.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.49 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -63.64 -54.26 38.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.766 ' HA ' ' HZ1' ' A' ' 164' ' ' LYS . 0.2 OUTLIER -55.18 -33.12 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 2.3 t -63.47 -76.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.368 1.042 . . . . 0.0 110.094 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.425 ' CB ' HG21 ' A' ' 117' ' ' VAL . 0.5 OUTLIER -45.14 -48.51 12.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.648 ' CZ ' ' CG1' ' A' ' 117' ' ' VAL . 18.7 m-30 -61.33 -27.31 68.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 165' ' ' SER . . . 142.86 80.04 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.96 141.2 52.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.546 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 5.7 tptt -176.97 62.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.63 1.206 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.478 ' CD1' HG21 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -76.75 150.35 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -139.94 173.43 22.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.153 . . . . 0.0 110.991 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -126.09 116.48 21.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.593 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 9.9 m-85 -128.25 116.51 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -123.34 179.87 4.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.7 2.94 21.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' GLN . 10.1 t -148.76 124.36 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 0.822 . . . . 0.0 110.363 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -38.94 157.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.573 1.17 . . . . 0.0 110.406 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.2 m -157.38 174.31 15.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.429 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.62 167.33 16.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -91.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.493 ' O ' ' CG2' ' A' ' 15' ' ' THR . 3.2 m -162.91 28.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.404 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' CG ' ' N ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -168.96 -97.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -156.97 75.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.077 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.18 -34.42 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.462 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -54.28 -31.59 54.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.21 -45.77 54.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.517 ' CG2' ' CD1' ' A' ' 156' ' ' ILE . 2.6 mp -60.06 -54.15 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 160' ' ' VAL . 2.6 tp -59.54 -34.22 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -53.98 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -28.86 69.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -68.49 -49.67 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -48.39 -22.41 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.63 -45.84 1.34 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.384 1.052 . . . . 0.0 111.052 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -102.81 -171.92 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.242 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -91.7 -5.77 53.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.379 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.478 HG21 ' CD1' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -47.8 99.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 2.5 t -155.64 81.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.619 1.199 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.521 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 72.1 p -107.86 99.84 9.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -95.06 167.11 11.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.457 1.098 . . . . 0.0 109.199 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.526 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.38 -3.96 30.49 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.529 1.143 . . . . 0.0 109.629 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.04 -30.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.2 m -85.81 48.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.1 t -57.13 -17.19 9.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -5.55 32.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.26 -171.49 1.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -106.48 174.38 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.493 ' CG1' ' CA ' ' A' ' 71' ' ' SER . 3.2 m -65.19 -12.01 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.443 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 5.9 t -54.62 -30.63 55.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.6 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 1.3 m-20 -56.03 -53.48 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.593 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.7 pp -77.01 -23.99 52.17 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.567 1.167 . . . . 0.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 51.8 t30 -60.44 -31.05 70.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 5.4 m-20 -74.59 -44.2 51.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -105.37 113.18 26.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.941 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.72 3.84 10.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.19 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.427 ' CE1' ' HG2' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -106.48 112.99 26.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 110.956 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 7' ' ' PHE . 2.1 mm? -134.11 164.68 26.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.192 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 4' ' ' ILE . 3.1 mp -128.71 145.11 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.432 ' N ' HG21 ' A' ' 51' ' ' ILE . 2.7 pp -136.94 156.12 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.384 1.052 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.15 77.32 0.39 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.4 p -167.3 152.44 7.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.6 39.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 t -144.09 110.91 5.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 0.0 110.434 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -71.63 161.85 30.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.615 1.197 . . . . 0.0 107.974 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -88.61 154.47 20.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.9 tp -84.13 151.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.34 -57.08 21.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.597 1.186 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -153.77 -58.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 110.249 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.96 166.42 31.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.461 ' O ' ' OE1' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -175.57 171.89 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.593 1.183 . . . . 0.0 110.291 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 p -102.38 137.79 40.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.4 138.27 51.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.418 1.074 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -88.64 164.76 15.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.005 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.6 156.06 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.85 178.98 53.13 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.597 1.186 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.586 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 1.0 OUTLIER -92.26 -67.52 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 0.729 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 4.1 m-85 -179.95 -36.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.493 ' CA ' ' CG1' ' A' ' 41' ' ' VAL . 2.3 p -168.97 44.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.21 165.14 11.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.226 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.591 HD13 ' HZ1' ' A' ' 81' ' ' LYS . 1.7 pt? -51.31 -27.14 8.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.448 ' HA ' ' CD1' ' A' ' 109' ' ' ILE . 1.0 OUTLIER -61.15 -21.19 63.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.43 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.29 -54.97 6.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.592 HG23 ' CE1' ' A' ' 78' ' ' PHE . 35.3 m -66.08 147.23 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.2 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.55 59.24 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.592 ' CE1' HG23 ' A' ' 76' ' ' VAL . 1.6 m-30 -51.85 137.51 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.3 m-80 -132.9 143.29 49.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 38.6 29.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.591 ' HZ1' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -75.66 171.26 14.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 0.717 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.553 ' CD1' ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -117.46 138.53 51.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.485 ' CG2' ' HE3' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -135.95 130.59 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.481 ' HA ' ' CG1' ' A' ' 117' ' ' VAL . . . -102.28 121.15 41.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 109.228 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -96.96 119.73 35.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.506 ' HA ' ' CE2' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -53.9 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -174.78 119.91 0.75 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.3 p -65.46 -170.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 0.742 . . . . 0.0 110.417 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.01 -111.59 1.29 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -139.54 -174.07 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.44 ' NE2' ' OG1' ' A' ' 152' ' ' THR . 0.2 OUTLIER -126.09 -60.51 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.7 pt -40.54 138.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.08 164.19 54.38 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.4 1.063 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -171.94 -42.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.41 0.712 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 173.22 177.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.61 93.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.0 t30 172.67 130.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.436 1.085 . . . . 0.0 109.209 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -177.47 167.07 2.27 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -171.77 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -105.86 168.56 9.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.03 -174.18 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.414 HG12 ' N ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -99.21 -174.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.486 ' O ' ' CD2' ' A' ' 105' ' ' LEU . . . 136.03 168.67 11.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.443 1.089 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.2 tt -63.28 167.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.345 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 103' ' ' GLY . 3.0 mm? -144.78 81.5 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -175.45 98.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 110.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 63' ' ' GLN . 1.1 mm-40 -179.97 -88.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -116.39 121.47 42.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.409 1.068 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.458 ' CG2' ' HE2' ' A' ' 81' ' ' LYS . 3.4 mp -51.71 -32.14 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 m -39.82 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.604 1.19 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -92.51 -41.88 10.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.609 1.193 . . . . 0.0 110.228 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 0.9 OUTLIER -58.47 -47.99 82.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -36.63 -48.63 1.3 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 179.83 -119.58 0.64 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.17 152.37 25.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.8 m -122.83 122.44 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.366 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.571 HG13 ' CE1' ' A' ' 167' ' ' PHE . 14.5 p -93.96 131.14 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 163.79 -88.7 0.1 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -143.09 106.88 4.64 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.377 0.692 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.414 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 9.1 p-90 -174.75 118.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 65.1 p -174.9 137.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 0.0 109.922 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.6 p -140.46 -50.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -136.0 131.42 34.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -102.35 145.79 16.64 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.51 177.8 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.65 -62.94 1.4 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.637 1.21 . . . . 0.0 109.306 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -62.78 91.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.89 167.42 5.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.09 150.15 52.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.223 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.2 t -170.12 159.96 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.999 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -67.65 149.57 49.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -113.34 148.21 36.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.65 166.46 24.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.448 ' O ' ' ND2' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -55.72 143.05 32.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 134' ' ' ARG . 28.0 m120 -153.5 174.48 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 137' ' ' LYS . . . 102.62 94.22 2.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.123 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 136' ' ' GLY . 14.6 mttm -169.51 67.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -178.11 165.77 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 8.6 p -166.63 112.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 169.94 173.53 37.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.4 -176.67 5.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 0.0 109.304 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.43 145.42 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.445 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.92 153.13 19.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -62.74 173.94 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -50.43 73.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.19 127.63 10.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 41.1 p-10 -92.24 -177.01 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -152.03 -174.66 4.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.5 -171.13 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -168.18 -173.9 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 mp -133.7 -178.07 4.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.44 ' OG1' ' NE2' ' A' ' 91' ' ' GLN . 0.9 OUTLIER 179.92 148.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 155' ' ' ARG . 25.8 t0 -54.94 -59.84 4.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.442 ' OD1' ' CD ' ' A' ' 157' ' ' LYS . 9.3 m-20 -66.53 73.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.38 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 153' ' ' ASP . 0.4 OUTLIER -75.82 -56.49 4.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.517 ' CD1' ' CG2' ' A' ' 21' ' ' ILE . 36.1 pt -69.37 -42.46 81.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.442 ' CD ' ' OD1' ' A' ' 154' ' ' ASP . 4.9 mtpt -57.41 -30.97 65.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.8 t -75.97 -71.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.57 ' CH2' HD13 ' A' ' 163' ' ' LEU . 39.5 t90 -42.08 -54.08 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 156' ' ' ILE . 75.7 t -51.3 -51.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -54.99 -32.45 61.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.607 1.192 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 32.7 tp60 -69.3 -47.85 63.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.238 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.57 HD13 ' CH2' ' A' ' 159' ' ' TRP . 0.7 OUTLIER -59.67 -53.77 54.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -36.64 75.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.441 ' CB ' HG21 ' A' ' 117' ' ' VAL . 5.9 tp10 -60.43 -57.52 12.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.571 ' CE1' HG13 ' A' ' 117' ' ' VAL . 8.7 m-30 -39.95 -46.38 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.34 -68.79 1.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.34 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.526 ' HE3' ' NZ ' ' A' ' 164' ' ' LYS . 1.5 mtpm? -93.76 148.11 22.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -175.66 65.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.235 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.544 HD12 ' CE2' ' A' ' 26' ' ' PHE . 1.3 mp -75.63 149.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.53 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -138.83 -178.78 16.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -139.32 116.92 11.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.25 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.663 ' CE2' ' CD2' ' A' ' 44' ' ' LEU . 32.1 m-85 -132.12 121.69 24.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -129.05 179.89 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 111.052 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.43 -140.71 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.43 1.081 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -136.37 12.33 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 0.745 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -108.14 -21.96 12.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 p -58.6 -101.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.589 1.181 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.9 142.14 7.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.155 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -143.97 162.49 36.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 16' ' ' GLU . 67.2 p -145.23 -76.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' N ' ' OG1' ' A' ' 15' ' ' THR . 0.3 OUTLIER -39.16 158.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.2 m -87.91 43.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.058 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.465 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 2.9 m -55.73 -35.15 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.59 -28.27 13.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.12 -46.48 28.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.435 HG21 ' CG2' ' A' ' 156' ' ' ILE . 2.7 mp -61.49 -56.42 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 19' ' ' ALA . 2.1 tp -54.72 -43.89 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' CG ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -56.22 -53.93 51.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -63.89 -23.73 67.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.538 ' CG ' HD11 ' A' ' 156' ' ' ILE . 51.4 mm-40 -77.54 -29.67 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CE2' HD12 ' A' ' 4' ' ' ILE . 1.5 m-85 -75.17 0.48 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.88 47.05 9.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.389 1.055 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -172.84 -174.2 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.596 0.821 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -101.87 -12.6 18.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -48.35 100.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.461 HG23 ' CG ' ' A' ' 23' ' ' ARG . 53.3 t -155.12 84.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 0.0 109.397 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.53 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 66.6 p -113.85 99.53 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.361 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' CD1' ' CB ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -108.07 165.49 11.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.601 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -58.76 -16.62 17.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.695 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.483 ' CB ' ' CD1' ' A' ' 33' ' ' LEU . 7.8 t70 -39.02 -31.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.449 ' N ' ' C ' ' A' ' 34' ' ' HIS . 6.4 m -83.78 50.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.419 1.075 . . . . 0.0 109.374 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -59.12 -15.19 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.092 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -6.64 38.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.395 1.059 . . . . 0.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.63 -171.45 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.372 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -109.89 177.18 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.45 HG23 ' CG1' ' A' ' 76' ' ' VAL . 2.2 p -65.29 -11.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.452 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 39.7 p -56.29 -29.07 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.58 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -52.51 -54.35 33.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.663 ' CD2' ' CE2' ' A' ' 7' ' ' PHE . 4.2 pp -77.68 -34.75 52.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.452 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 42.8 t30 -47.47 -31.02 3.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.516 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 67.0 t0 -84.41 -35.28 23.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -102.29 110.4 22.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.974 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -84.92 47.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.239 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -155.83 113.46 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.548 HD22 ' CE1' ' A' ' 7' ' ' PHE . 3.3 mt -146.3 164.85 31.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.46 ' CG1' ' HB2' ' A' ' 84' ' ' ALA . 3.1 mt -117.0 145.85 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.428 ' N ' HG23 ' A' ' 51' ' ' ILE . 11.9 pt -129.06 -176.67 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.79 32.31 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.1 p -154.22 152.43 26.42 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.34 27.26 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.779 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 p -140.79 137.05 33.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -174.22 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -40.89 111.89 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.22 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.6 tt -173.73 35.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.41 154.21 16.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -179.92 144.35 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.323 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.91 -69.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -49.32 132.85 20.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.382 1.051 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.0 t -55.78 139.59 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.07 174.39 3.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -131.67 134.13 45.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -172.67 164.08 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.61 146.17 5.76 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.578 1.173 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.8 mt -131.28 -164.86 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.36 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 13.0 p90 -175.82 101.54 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 99.1 p -179.99 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 74' ' ' ASP . 27.9 mt-10 -103.76 143.05 33.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.557 ' CD2' ' CD1' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -46.1 -26.71 0.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 72' ' ' GLU . 21.4 t70 -53.13 -21.42 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.97 -55.01 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.604 HG22 ' CD1' ' A' ' 78' ' ' PHE . 32.4 m -70.5 154.16 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.86 65.55 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.619 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 2.3 m-30 -51.06 125.67 14.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -137.73 98.08 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 88.37 64.65 1.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.953 ' HZ1' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -132.24 171.25 13.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 0.787 . . . . 0.0 109.23 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.678 HD12 ' CZ ' ' A' ' 167' ' ' PHE . 2.1 pp -101.45 126.25 48.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.953 ' CG1' ' HZ1' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -125.88 128.55 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.46 ' HB2' ' CG1' ' A' ' 51' ' ' ILE . . . -101.98 162.72 12.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.78 116.92 17.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -81.01 102.51 10.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.7 -138.08 38.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.3 p -127.61 -54.63 1.33 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 0.814 . . . . 0.0 110.381 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.39 -176.55 16.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.18 96.14 5.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.757 . . . . 0.0 109.241 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -147.34 115.4 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.452 ' O ' ' CD1' ' A' ' 92' ' ' ILE . 2.3 pp -66.97 96.09 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.71 -147.51 3.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -159.43 171.39 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 111.051 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.55 -61.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -98.08 118.85 35.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -163.78 106.04 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -175.45 167.4 3.3 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -158.78 -59.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.597 1.186 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -110.47 164.06 13.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.04 120.11 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 pt -88.17 154.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -95.51 -161.21 33.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.12 -54.56 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.532 0.784 . . . . 0.0 109.265 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.07 101.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -162.24 151.04 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.271 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 69.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 22.0 mttt -118.37 111.88 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.557 ' CD1' ' CD2' ' A' ' 73' ' ' LEU . 2.8 mp -51.61 -32.2 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.16 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -92.31 -41.8 10.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -58.53 -47.93 82.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -36.63 -52.27 1.42 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.45 -118.24 0.74 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.18 151.06 29.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.1 m -108.9 147.35 32.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.31 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.656 ' CG1' ' CE1' ' A' ' 167' ' ' PHE . 8.1 p -134.54 135.72 53.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 108.96 24.31 6.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.165 . . . . 0.0 110.999 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -80.08 155.58 27.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -178.64 98.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 107.982 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.497 ' O ' ' CG2' ' A' ' 122' ' ' THR . 7.5 t -88.67 124.18 33.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 121' ' ' SER . 17.2 p -157.52 90.86 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.08 -67.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.01 -85.48 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -38.32 119.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -109.32 101.09 10.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -94.4 151.76 19.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -178.41 149.94 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.86 150.89 28.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.2 t -173.91 93.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -81.8 72.6 8.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 109.24 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -173.79 151.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.03 63.37 5.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -168.54 98.59 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -135.13 142.44 46.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -170.36 86.82 0.09 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.52 1.137 . . . . 0.0 110.939 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -91.87 170.6 9.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.76 . . . . 0.0 109.282 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -118.64 163.22 17.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 8.0 p -141.41 165.41 18.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -125.34 165.76 18.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.566 1.167 . . . . 0.0 111.038 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.19 160.46 13.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 0.807 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -176.21 156.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.31 115.78 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -110.9 101.27 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.56 -60.15 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -44.89 103.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -56.4 119.84 6.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.28 118.1 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.9 p -130.02 70.79 1.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -162.76 162.17 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.18 157.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 14.6 t -113.28 162.23 16.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -92.09 -20.79 20.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -92.47 35.65 1.01 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.04 -56.67 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.538 HD11 ' CG ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -52.25 -46.63 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.243 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -64.0 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.206 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 -68.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.944 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.564 ' CH2' HD11 ' A' ' 163' ' ' LEU . 30.2 t90 -46.81 -53.93 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 25' ' ' GLU . 48.2 t -51.35 -51.64 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -54.48 -31.8 56.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -47.37 57.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.336 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.564 HD11 ' CH2' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -61.04 -53.41 57.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.526 ' NZ ' ' HE3' ' A' ' 2' ' ' LYS . 5.4 mmmt -64.55 -29.78 70.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -57.95 -74.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.636 1.21 . . . . 0.0 109.979 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.448 ' CB ' HG21 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -53.65 -53.68 48.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.678 ' CZ ' HD12 ' A' ' 82' ' ' LEU . 15.7 m-30 -53.86 -22.7 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -81.07 -70.49 1.34 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -125.72 155.32 41.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.218 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.431 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -174.83 66.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.475 ' CG2' HD13 ' A' ' 51' ' ' ILE . 1.1 mp -74.24 147.55 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.571 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -137.36 171.81 23.01 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -131.66 115.83 16.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 7.3 m-85 -124.5 122.54 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.721 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -127.96 179.81 5.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.18 -97.3 1.05 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.446 1.092 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.4 m -55.69 173.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 0.74 . . . . 0.0 110.423 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.497 ' O ' ' CG2' ' A' ' 12' ' ' THR . 0.1 OUTLIER -132.73 130.52 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 11' ' ' GLN . 2.4 p -159.93 158.35 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.2 161.66 10.34 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.374 1.046 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -174.97 -55.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 p -54.6 -168.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -38.96 139.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 21.9 m -67.67 75.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.976 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 m -55.34 -31.7 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.467 ' O ' ' CG2' ' A' ' 22' ' ' ILE . . . -53.22 -49.68 66.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.645 1.215 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -34.34 78.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -60.1 -56.88 14.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' ' O ' ' A' ' 19' ' ' ALA . 7.0 tp -54.77 -45.08 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.791 HH21 ' CD2' ' A' ' 33' ' ' LEU . 78.5 mtt180 -50.12 -44.4 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.96 -40.07 75.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -33.95 68.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.353 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 1.9 m-85 -72.05 -3.43 22.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . 37.76 86.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.174 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 3.2 m-20 156.44 -171.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.77 -18.22 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 4' ' ' ILE . 0.9 OUTLIER -51.23 100.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.489 ' CG1' ' HG2' ' A' ' 23' ' ' ARG . 26.8 m -154.71 81.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.571 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 47.0 p -115.68 99.48 7.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.791 ' CD2' HH21 ' A' ' 23' ' ' ARG . 0.2 OUTLIER -97.21 166.4 11.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.721 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -67.63 -9.45 43.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.547 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.539 ' N ' ' HD1' ' A' ' 34' ' ' HIS . 11.8 t70 -39.3 -30.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.401 1.063 . . . . 0.0 109.215 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.45 ' N ' ' C ' ' A' ' 34' ' ' HIS . 13.9 p -82.32 52.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.353 1.033 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -65.44 -10.62 35.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -5.61 33.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.271 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.59 -171.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.61 176.31 5.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.458 ' CG2' HG23 ' A' ' 76' ' ' VAL . 3.5 m -64.82 -12.23 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.413 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.451 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 6.2 t -56.39 -29.94 62.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.75 -53.39 58.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.407 1.067 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.7 pp -77.28 -23.14 51.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.412 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.482 ' OD1' ' CG1' ' A' ' 76' ' ' VAL . 55.7 t30 -61.26 -32.03 71.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.1 -45.42 49.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.66 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -92.3 117.02 29.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 111.11 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.596 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -85.25 33.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.596 ' CE1' ' HG2' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -141.42 112.18 7.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.58 HD12 ' CE1' ' A' ' 7' ' ' PHE . 3.7 mm? -141.08 161.22 38.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.389 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.475 HD13 ' CG2' ' A' ' 4' ' ' ILE . 2.8 mp -126.64 153.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.412 1.07 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mm -122.19 113.4 38.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.31 -91.35 0.27 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.441 1.088 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.4 95.25 4.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 -53.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.583 1.833 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -101.79 149.47 24.14 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.563 1.164 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -78.52 -68.94 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.038 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.11 128.82 47.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.1 tt -49.0 161.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.209 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.95 84.04 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.18 81.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.403 0.708 . . . . 0.0 110.345 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 tp -143.5 74.28 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.13 157.85 29.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 p -169.81 146.74 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.94 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -95.41 -51.64 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -159.25 76.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.28 111.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.18 121.77 1.2 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.23 131.61 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -158.91 164.03 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.177 . . . . 0.0 110.953 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.417 ' O ' ' CG1' ' A' ' 41' ' ' VAL . 3.2 m -156.27 51.86 0.53 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.558 1.161 . . . . 0.0 109.943 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 8' ' ' TYR . 3.1 tt0 -105.08 -174.52 2.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.609 1.193 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -65.7 -27.29 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.2 -22.57 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -88.92 -57.37 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.482 ' CG1' ' OD1' ' A' ' 45' ' ' ASN . 48.5 t -40.44 144.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.99 54.69 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 1.7 m-30 -49.36 130.17 19.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -137.84 119.97 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.61 65.04 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.58 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -128.77 170.73 12.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 82' ' ' LEU . 0.6 OUTLIER -106.15 135.1 48.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.48 HG13 ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -136.28 134.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -105.69 135.13 47.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 88' ' ' THR . 0.8 OUTLIER -115.75 115.07 25.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 111.013 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.594 ' HB2' ' CZ2' ' A' ' 159' ' ' TRP . 3.0 t80 -98.58 82.84 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.79 -124.22 1.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.477 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 53.2 m -76.8 163.9 26.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 110.419 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.14 41.15 1.31 Allowed Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -41.59 158.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 0.714 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -73.17 -61.23 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.3 tp -162.22 136.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -128.34 63.26 0.62 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -100.76 156.94 17.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.84 -61.41 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.35 147.06 38.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -112.21 144.25 41.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -170.11 152.6 4.31 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.27 150.09 2.67 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.348 1.03 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.58 160.43 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.92 178.99 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.386 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.74 132.47 6.76 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -154.86 85.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.333 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.29 116.09 19.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.33 152.32 14.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -173.53 -76.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.354 1.034 . . . . 0.0 110.337 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.2 OUTLIER -97.45 170.92 8.72 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.448 HG12 ' CD1' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -52.89 -32.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.432 ' N ' HG23 ' A' ' 109' ' ' ILE . 11.5 m -72.15 -71.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.02 -18.76 5.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.231 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 5.2 ttm180 -76.21 -47.18 24.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.42 74.3 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 81' ' ' LYS . . . 159.78 167.07 19.88 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.06 146.38 30.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.387 0.698 . . . . 0.0 109.355 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -116.32 124.86 51.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.175 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.568 HG13 ' CE1' ' A' ' 167' ' ' PHE . 3.0 m -94.15 148.14 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -137.91 -157.17 7.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.42 1.075 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 159' ' ' TRP . 2.7 m-85 -104.85 163.72 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 110.963 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -133.76 63.72 1.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.29 -71.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.2 p -92.33 123.2 35.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -177.88 121.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -178.83 -106.32 0.2 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.85 115.34 14.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 0.731 . . . . 0.0 111.029 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.06 128.66 53.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -100.87 167.5 10.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -165.74 108.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -95.79 92.54 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.2 t -102.9 90.96 3.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.15 . . . . 0.0 109.96 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.67 141.04 13.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -130.93 144.57 51.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.03 -72.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.242 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.05 85.77 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.38 1.05 . . . . 0.0 110.31 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.74 176.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -174.68 163.79 34.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -136.76 81.47 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 0.799 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -159.47 153.83 23.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 13.7 p -165.06 143.0 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.577 1.173 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 115.44 95.46 2.0 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -164.25 61.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 109.382 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -149.51 133.22 16.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.37 89.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -110.53 94.8 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.28 -60.16 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -42.38 152.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -115.8 130.78 56.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 109.229 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -96.6 150.5 20.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 0.0 110.352 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.8 t -179.87 146.08 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.056 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -164.95 144.09 6.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.55 175.36 7.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 24.0 m -154.42 145.43 22.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.422 1.076 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -59.85 4.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.88 53.66 2.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -75.8 -44.33 41.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.344 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.504 ' O ' ' CG2' ' A' ' 160' ' ' VAL . 3.4 pt -52.48 -40.36 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.225 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -61.83 -30.98 71.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.6 t -68.64 -60.22 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.594 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 37.9 t90 -54.44 -55.33 29.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.002 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 156' ' ' ILE . 59.0 t -51.55 -36.96 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -68.09 -31.87 71.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -68.33 -54.93 14.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -64.36 -54.25 35.85 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.572 1.17 . . . . 0.0 109.225 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.536 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -54.71 -32.75 60.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 2.4 t -64.31 -75.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.087 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.12 -54.72 12.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.568 ' CE1' HG13 ' A' ' 117' ' ' VAL . 13.5 m-30 -49.34 -37.72 25.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 169' ' ' LEU . . . 150.3 79.25 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.432 1.083 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 168' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.66 137.01 52.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.371 1.044 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.517 ' HG2' ' CG ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -176.16 69.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.607 1.192 . . . . 0.0 109.283 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.47 ' CD1' HG22 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -80.16 148.13 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.566 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -137.64 175.3 21.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -134.38 117.09 15.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.736 . . . . 0.0 109.254 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.59 ' CE2' HD21 ' A' ' 44' ' ' LEU . 9.8 m-85 -128.77 122.06 29.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.637 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -136.48 179.87 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.067 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.03 -14.43 26.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 11' ' ' GLN . 10.5 t -99.88 -153.96 0.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 110.389 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.545 ' OE1' ' CE2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -118.14 -157.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 110.321 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p -71.85 -162.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 110.404 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.82 -110.19 0.87 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -40.59 153.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.5 p -58.12 -59.2 5.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.57 176.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 p -91.45 83.86 5.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -55.29 -40.03 54.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -53.41 -30.57 40.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.54 -43.29 60.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.218 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.702 HG23 HD11 ' A' ' 156' ' ' ILE . 2.5 mp -63.29 -55.18 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.642 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 2.6 tp -59.12 -33.13 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.461 ' CB ' HG21 ' A' ' 31' ' ' VAL . 12.3 ttt-85 -65.11 -54.2 33.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -20.0 65.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.586 1.178 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.649 ' CG ' ' CD1' ' A' ' 156' ' ' ILE . 3.9 mm-40 -77.7 -49.35 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.523 ' CD2' HD12 ' A' ' 22' ' ' ILE . 0.7 OUTLIER -50.5 -20.93 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 111.003 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 -67.43 1.88 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -73.56 -172.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.44 -7.54 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -48.6 99.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' A' ' 23' ' ' ARG . 17.0 t -156.4 84.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.566 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 72.8 p -114.72 99.22 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -112.9 163.05 15.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.598 1.186 . . . . 0.0 109.237 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 2.0 p-80 -39.13 -30.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.566 1.167 . . . . 0.0 109.551 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.463 ' CB ' HD13 ' A' ' 33' ' ' LEU . 7.6 t0 -39.21 -31.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.441 ' N ' ' C ' ' A' ' 34' ' ' HIS . 16.9 m -82.01 52.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.3 t -63.78 -11.5 27.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -6.25 35.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.74 126.92 37.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -169.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.46 HG22 ' CG1' ' A' ' 76' ' ' VAL . 7.6 p -65.61 -11.36 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.46 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 4.7 t -58.17 -26.54 62.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.606 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -55.82 -53.97 50.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.59 HD21 ' CE2' ' A' ' 7' ' ' PHE . 4.2 pp -76.35 -22.37 54.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.46 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 54.6 t30 -63.51 -30.44 71.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.235 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.444 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 12.3 m-20 -83.04 -40.69 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.652 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.59 115.75 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.482 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -85.77 43.63 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.507 ' HB3' ' CG ' ' A' ' 82' ' ' LEU . 0.1 OUTLIER -154.39 112.67 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.582 HD12 ' CE1' ' A' ' 7' ' ' PHE . 3.0 mm? -139.43 165.54 26.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 84' ' ' ALA . 3.1 mp -121.99 139.28 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.596 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 6.2 pt -130.53 -173.41 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.364 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.57 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . 167.0 41.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -135.89 163.91 47.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -178.82 4.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 t -107.73 -39.18 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.473 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -97.79 -72.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 107.975 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 169.15 -178.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mt -114.99 118.0 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.606 1.191 . . . . 0.0 109.364 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.71 84.72 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.93 129.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.795 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.39 93.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.368 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.31 -178.84 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.67 126.57 49.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.037 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.61 -176.68 3.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.545 ' CE2' ' OE1' ' A' ' 11' ' ' GLN . 11.0 m95 -125.7 -94.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 107.979 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.27 -176.7 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.0 -179.53 42.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.66 -173.34 3.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -140.5 71.35 1.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.592 1.182 . . . . 0.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.9 p -178.73 48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.035 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.39 -160.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.522 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -53.85 -26.35 24.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.219 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.43 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -72.04 -21.4 61.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.64 -59.53 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.588 HG23 ' CD1' ' A' ' 78' ' ' PHE . 15.2 m -45.28 168.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.72 59.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.616 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 2.3 m-30 -61.64 121.88 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.108 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -138.29 95.52 3.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 93.1 64.94 1.08 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.616 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -133.53 170.86 14.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.609 ' HB2' ' CE1' ' A' ' 167' ' ' PHE . 2.1 pp -102.54 132.0 48.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.417 HG11 ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -128.16 118.41 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.46 ' O ' ' CG2' ' A' ' 51' ' ' ILE . . . -101.71 113.86 27.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.519 ' CD1' ' HA2' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -97.23 138.1 35.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.055 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' ILE . 9.8 p90 -127.5 27.63 5.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 86' ' ' PHE . . . -37.8 -79.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 53.8 m -124.34 -101.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.53 -152.88 23.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.61 100.62 7.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -124.26 143.22 50.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.347 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.7 mt -63.71 82.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLN . . . -176.22 162.19 30.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 111.056 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.74 95.01 4.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 62.2 156.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -86.59 -52.44 5.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 172.79 -39.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -55.63 113.44 1.46 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -98.51 161.97 13.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.241 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -155.18 86.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.59 -69.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.355 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 tp -96.58 98.96 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -55.22 -166.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.2 mm -120.07 -141.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.743 . . . . 0.0 109.371 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.3 OUTLIER -122.54 -151.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.39 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 107' ' ' GLU . 4.6 pt-20 -37.41 -31.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -37.41 -54.93 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -85.48 83.7 7.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.432 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 2.2 mp -50.1 -31.41 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' ILE . 74.6 m -38.04 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.951 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -94.64 -50.53 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -58.08 -15.39 9.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -101.42 -20.98 12.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 165.18 -134.35 3.29 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.78 148.92 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.3 t -121.65 137.93 54.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.435 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.565 HG13 ' CE1' ' A' ' 167' ' ' PHE . 10.3 m -113.81 145.99 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 83.78 42.14 7.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -131.31 170.1 15.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.959 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -143.43 129.21 19.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.28 113.14 25.26 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.596 1.185 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.4 p -94.39 -58.03 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -54.19 140.71 31.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.576 1.172 . . . . 0.0 109.287 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.52 -71.16 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.75 109.54 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.736 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -52.24 110.14 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -122.62 142.46 50.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -138.22 92.1 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.93 95.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 12.2 t -95.61 62.87 2.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.83 170.59 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -88.43 -68.68 0.75 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.2 -166.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.45 143.12 44.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 164.09 178.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.407 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -105.2 41.93 2.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -96.35 175.41 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 0.82 . . . . 0.0 109.35 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 138' ' ' PHE . 14.4 p90 -177.5 94.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 15.9 m -151.8 158.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 176.08 126.23 0.94 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.635 1.209 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.45 127.55 9.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.399 0.705 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -173.55 160.24 3.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.5 120.45 6.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -90.3 94.56 9.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.27 -53.29 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -43.27 129.65 4.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -92.23 -168.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.374 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -179.12 143.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.244 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.24 154.11 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.97 147.45 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.622 1.201 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 47.9 mt -151.8 179.63 8.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.368 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 2.3 p -124.16 176.01 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.36 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -84.75 -46.08 11.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.92 35.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -75.69 -35.34 60.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.361 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.702 HD11 HG23 ' A' ' 21' ' ' ILE . 1.3 pt -71.94 -37.45 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.588 ' HG2' ' OE2' ' A' ' 25' ' ' GLU . 17.0 mttt -67.75 -31.46 71.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.129 . . . . 0.0 109.207 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 13.6 t -77.18 -52.15 9.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.105 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.57 ' CZ2' HD11 ' A' ' 163' ' ' LEU . 30.5 t90 -57.54 -56.45 21.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 108.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.642 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 35.7 t -50.53 -52.02 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -55.56 -31.14 61.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -71.8 -47.84 50.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.57 HD11 ' CZ2' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -58.93 -54.61 45.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -64.3 -35.2 80.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.7 t -52.6 -78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.472 ' CB ' HG11 ' A' ' 117' ' ' VAL . 30.2 mm-40 -50.2 -60.22 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.609 ' CE1' ' HB2' ' A' ' 82' ' ' LEU . 16.2 m-30 -46.21 -23.75 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . 138.75 89.97 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.374 1.046 . . . . 0.0 111.02 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 168' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.377 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -54.86 146.56 17.12 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.467 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -177.79 64.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -73.92 151.65 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.635 1.209 . . . . 0.0 109.36 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.556 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -141.41 -179.87 18.97 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.52 115.85 8.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.23 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.628 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 7.3 m-85 -125.09 119.7 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.637 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -121.91 179.96 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.44 -0.99 18.34 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.551 1.157 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.88 145.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.417 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -89.75 159.99 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -134.16 -84.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.364 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.85 165.89 0.65 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.56 108.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.78 . . . . 0.0 109.293 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.4 p -136.83 -66.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -134.66 -67.86 0.55 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.472 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 69.8 m -170.97 64.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.413 1.07 . . . . 0.0 109.954 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.29 -40.9 58.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.245 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.4 -41.48 60.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.22 -29.68 66.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -69.52 -55.4 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.503 HD11 ' CG2' ' A' ' 160' ' ' VAL . 6.0 tp -54.91 -43.09 66.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.791 HH21 ' HG ' ' A' ' 33' ' ' LEU . 47.0 mtt180 -58.03 -53.8 54.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.391 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.77 -21.6 66.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.741 ' CG ' HD12 ' A' ' 156' ' ' ILE . 2.1 mm-40 -74.85 -48.03 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.249 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -55.99 -16.8 5.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.1 -86.17 1.1 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.438 ' CB ' HG22 ' A' ' 30' ' ' VAL . 7.5 m-80 -42.41 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.57 -12.1 61.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 2.4 m -49.55 100.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.454 ' CG1' ' HG2' ' A' ' 23' ' ' ARG . 27.9 m -154.37 81.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.556 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 19.9 p -112.03 100.07 8.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.791 ' HG ' HH21 ' A' ' 23' ' ' ARG . 0.2 OUTLIER -102.44 165.32 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.637 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -58.8 -16.73 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.603 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.492 ' CB ' ' CD1' ' A' ' 33' ' ' LEU . 26.2 t0 -39.44 -30.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.612 1.195 . . . . 0.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.429 ' N ' ' C ' ' A' ' 34' ' ' HIS . 95.7 t -82.11 52.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.582 1.176 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 t -65.78 -10.13 34.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.085 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -5.56 32.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.05 135.13 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.46 -172.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.247 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.462 HG12 ' CA ' ' A' ' 71' ' ' SER . 15.6 m -65.32 -11.8 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.3 t -54.46 -27.9 40.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.59 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -62.87 -53.13 58.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.628 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.4 pp -73.28 -22.58 60.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -69.55 -30.86 68.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 79.5 m-20 -69.33 -38.93 78.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.633 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -100.34 121.0 40.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.45 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -88.51 37.15 0.81 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' HB3' ' CG ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -154.57 110.91 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.626 ' CD2' ' CD1' ' A' ' 7' ' ' PHE . 1.2 mp -144.32 164.93 29.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.703 HG22 ' CZ2' ' A' ' 159' ' ' TRP . 1.4 mp -121.26 154.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.614 1.196 . . . . 0.0 109.348 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.561 HD11 ' CD2' ' A' ' 85' ' ' TYR . 2.9 pp -142.16 -172.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.27 113.88 1.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.516 ' CB ' ' HD3' ' A' ' 55' ' ' PRO . 0.1 OUTLIER 179.32 -58.78 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 54' ' ' CYS . 18.3 Cg_endo -74.99 139.88 24.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 t -101.3 2.18 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -162.24 143.24 10.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 107.992 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -178.57 98.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.207 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -137.84 -54.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.3 -143.72 26.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -120.75 156.19 32.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tp -52.4 -64.55 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.21 93.11 6.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -165.88 168.34 15.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.924 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.49 95.17 1.32 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -116.21 151.13 36.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 108.036 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 169.94 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.03 -56.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.432 1.083 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tp -148.03 -177.9 5.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -83.06 -24.62 32.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.462 ' CA ' HG12 ' A' ' 41' ' ' VAL . 19.2 p -158.38 67.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.929 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -105.13 139.73 39.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.501 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -55.02 -26.33 36.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.218 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.423 ' N ' HD21 ' A' ' 73' ' ' LEU . 5.9 t70 -52.15 -21.92 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.187 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -56.98 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.361 1.038 . . . . 0.0 109.269 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.6 t -50.0 142.56 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.12 53.67 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.552 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 1.8 m-85 -49.96 132.36 22.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -140.63 146.99 38.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 39.72 48.37 3.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.552 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -117.35 171.65 7.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.733 ' CD1' ' CE1' ' A' ' 167' ' ' PHE . 1.8 pp -110.89 127.15 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 2.9 t -127.63 121.05 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.483 ' HA ' ' CG2' ' A' ' 117' ' ' VAL . . . -102.07 162.86 12.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.561 ' CD2' HD11 ' A' ' 52' ' ' ILE . 1.7 t80 -138.11 131.19 30.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 6.9 t80 -100.42 84.08 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.59 156.9 3.24 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.5 p -118.6 94.87 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.399 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.52 91.64 1.83 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.087 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -130.5 153.61 48.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.61 68.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.234 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 tt -165.51 163.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.2 174.08 3.69 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.62 162.56 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.993 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.35 171.88 14.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -134.95 97.86 3.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' ASP . 1.1 t-20 -40.61 -52.96 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -151.05 173.39 14.39 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -175.62 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -162.99 88.73 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.157 . . . . 0.0 109.228 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.71 176.98 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.29 165.95 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -128.81 165.51 21.61 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.435 1.084 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.9 tt -142.04 144.6 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 109.375 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.69 161.86 27.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.606 1.191 . . . . 0.0 109.325 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.11 -155.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -135.14 27.46 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -122.26 150.97 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 36.5 mm -51.56 -32.23 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.61 -77.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.417 ' NE2' HG22 ' A' ' 116' ' ' THR . 32.5 mm-40 -91.99 -43.45 9.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 1.6 ttt180 -58.64 -42.2 87.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -62.72 -35.09 91.43 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.429 1.081 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.14 -106.73 0.28 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.467 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -123.96 146.56 48.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 0.796 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.417 HG22 ' NE2' ' A' ' 111' ' ' GLN . 10.1 t -119.04 133.52 55.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.445 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.539 ' CG1' ' CB ' ' A' ' 166' ' ' GLU . 4.3 m -121.28 139.15 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 100.87 60.1 0.81 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.595 1.185 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -140.28 162.96 34.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.768 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -145.16 100.0 3.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 77.6 p -52.4 157.83 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.9 t -151.84 142.84 23.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.452 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -131.89 -63.47 0.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.396 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -166.88 -141.93 3.29 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -127.35 56.6 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 0.725 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.29 -54.15 1.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.123 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.63 99.14 3.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.168 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 177.3 113.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -129.81 -53.0 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.404 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.18 94.61 5.61 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -48.15 -71.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -169.42 142.4 2.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.53 148.05 37.36 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 -150.01 149.17 29.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -84.93 166.44 16.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 113.1 177.3 19.57 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.412 1.07 . . . . 0.0 111.025 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -171.37 3.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.542 ' O ' ' CD1' ' A' ' 138' ' ' PHE . 11.9 p90 -141.1 132.67 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 76.6 t -135.11 -67.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 0.0 109.279 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.26 -123.94 2.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.93 143.38 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.394 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -165.72 139.4 4.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -174.19 132.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.28 117.77 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -64.92 -54.8 25.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.55 161.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.27 112.13 19.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -120.84 136.28 54.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.32 140.04 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.057 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.45 151.6 31.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 5.1 mp -141.46 157.85 44.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 155' ' ' ARG . 1.3 m -121.25 158.94 26.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.88 -31.43 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -88.49 13.12 12.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 109.219 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.415 ' N ' HG21 ' A' ' 152' ' ' THR . 0.1 OUTLIER -75.96 -32.43 59.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.581 1.176 . . . . 0.0 110.285 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.741 HD12 ' CG ' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -69.14 -38.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -31.04 70.85 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.1 m -72.45 -58.66 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.703 ' CZ2' HG22 ' A' ' 51' ' ' ILE . 44.4 t90 -55.98 -52.74 63.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.503 ' CG2' HD11 ' A' ' 22' ' ' ILE . 45.5 t -51.1 -51.71 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.234 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.81 -32.07 67.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -66.49 -47.31 73.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.228 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.567 HD13 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -63.82 -53.66 47.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -58.03 -33.53 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.94 -69.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.539 ' CB ' ' CG1' ' A' ' 117' ' ' VAL . 0.6 OUTLIER -58.21 -57.45 12.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 110.323 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.733 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 10.9 m-30 -36.84 -49.47 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 157.99 75.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -172.54 53.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.47 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 1.0 OUTLIER -176.52 68.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.467 ' CD1' HG23 ' A' ' 30' ' ' VAL . 0.7 OUTLIER -82.77 148.88 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.536 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -137.69 177.63 19.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.74 116.29 13.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.745 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.665 ' CE1' ' CD2' ' A' ' 50' ' ' LEU . 6.4 m-85 -128.43 120.54 27.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.746 ' CE2' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -121.79 173.23 7.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' O ' ' CG2' ' A' ' 10' ' ' THR . . . -96.38 -14.34 44.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 9' ' ' GLY . 4.8 p -156.87 119.51 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.396 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.494 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 8.7 pt20 -52.11 142.46 16.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.374 1.046 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 t -175.81 138.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.59 176.41 45.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -89.52 -105.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.2 m -51.46 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.96 12.99 33.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 110.286 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.453 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -139.44 19.62 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.053 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 19' ' ' ALA . 31.3 m -56.51 -46.63 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 109.4 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.468 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -56.83 -29.66 63.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -36.05 64.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.408 1.067 . . . . 0.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.9 mp -69.4 -56.39 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 19' ' ' ALA . 4.4 tp -55.25 -38.31 47.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.456 1.098 . . . . 0.0 109.203 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' HG3' ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.72 -54.1 50.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.1 -19.6 64.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.473 ' HB3' ' CG2' ' A' ' 160' ' ' VAL . 3.1 mm-40 -76.38 -48.79 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.534 ' CD2' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -56.54 -16.28 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.62 -80.54 1.37 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -57.59 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 0.808 . . . . 0.0 109.349 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -94.04 -6.29 45.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -48.13 99.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 23' ' ' ARG . 2.9 t -155.6 81.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.536 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 67.1 p -109.42 99.67 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.357 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -98.73 167.2 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.746 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -74.22 -5.75 43.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.656 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 4.0 m-20 -39.93 -30.23 0.08 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.638 1.211 . . . . 0.0 109.395 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.438 ' N ' ' C ' ' A' ' 34' ' ' HIS . 24.7 m -87.48 46.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -53.9 -19.57 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -5.47 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.79 -171.68 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -107.15 164.19 12.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 76' ' ' VAL . 10.5 m -65.12 -12.13 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.437 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 7.7 t -54.57 -28.23 44.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.566 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -57.97 -53.56 56.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.358 1.036 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.594 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 4.1 pp -77.54 -24.38 49.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.437 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 52.3 t30 -58.29 -34.84 70.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 28.3 t70 -77.88 -42.72 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -95.22 107.84 19.95 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.517 1.136 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.594 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.9 pt20 -82.02 48.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.347 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.594 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -154.2 113.27 3.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.665 ' CD2' ' CE1' ' A' ' 7' ' ' PHE . 4.8 mt -143.29 165.28 27.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.608 1.192 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.468 HG23 ' CH2' ' A' ' 159' ' ' TRP . 1.9 mp -124.31 150.39 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.8 mt -117.44 137.08 52.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.434 1.084 . . . . 0.0 109.34 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.25 60.54 0.3 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.03 156.91 38.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -70.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -89.67 157.19 18.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.611 1.195 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.535 ' CZ2' ' HE2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -102.96 158.05 16.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.68 160.02 38.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.88 -179.64 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -54.6 143.84 31.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.01 162.84 24.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -150.51 31.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -102.05 165.34 11.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 0.0 110.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.12 133.45 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.99 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 66' ' ' TRP . 0.8 OUTLIER -78.8 -56.97 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.371 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.437 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 31.0 t90 -60.97 98.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.031 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.33 -48.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 0.0 110.241 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -129.18 -122.4 2.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.83 115.55 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.743 . . . . 0.0 109.433 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -134.51 96.82 3.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.7 p -147.91 51.63 1.04 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.985 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.04 175.94 5.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.47 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -49.0 -26.82 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 109.217 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.418 ' N ' HD21 ' A' ' 73' ' ' LEU . 26.1 t0 -54.77 -21.48 11.22 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -76.36 -53.58 7.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.38 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.578 HG22 ' CD1' ' A' ' 78' ' ' PHE . 29.9 m -72.39 162.46 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -105.59 68.05 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CD1' HG22 ' A' ' 76' ' ' VAL . 2.3 m-30 -58.35 111.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.17 92.95 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.437 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . 99.21 35.94 4.58 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.09 166.23 10.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.42 0.718 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.562 ' CD1' ' CZ ' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -102.61 129.77 49.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.8 132.59 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HA ' ' CG1' ' A' ' 117' ' ' VAL . . . -102.04 142.87 32.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -106.12 118.58 36.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 87' ' ' GLY . 39.6 p90 -40.48 -47.29 2.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.509 ' N ' ' CG ' ' A' ' 86' ' ' PHE . . . 63.55 81.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.387 1.054 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.5 m -155.99 82.99 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 0.734 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.44 128.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.407 1.067 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.532 ' OD2' ' CZ2' ' A' ' 120' ' ' TRP . 2.7 p30 -139.97 140.04 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -127.88 93.45 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.49 89.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.331 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.24 179.85 45.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -131.52 139.61 49.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 0.768 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 52.22 74.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.93 128.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -163.59 90.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.393 1.058 . . . . 0.0 109.351 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.13 93.19 0.07 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -156.67 119.29 4.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -158.77 88.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -169.94 158.62 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.7 tt -144.24 163.43 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.12 -64.56 0.56 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.432 1.083 . . . . 0.0 111.043 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.6 mp -61.73 148.57 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.589 0.817 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mp -104.35 152.84 21.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.572 1.17 . . . . 0.0 109.223 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -147.48 -97.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.4 1.062 . . . . 0.0 110.28 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -155.66 65.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.535 ' HE2' ' CZ2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -163.39 119.01 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.443 ' CG1' HD23 ' A' ' 73' ' ' LEU . 16.7 mm -51.79 -40.84 28.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.1 t -53.29 -57.07 11.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.384 1.053 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 108' ' ' LYS . 2.1 mt-30 -80.52 -3.83 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 108' ' ' LYS . 2.5 tpt180 -74.24 -51.07 16.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.3 126.99 0.91 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.408 1.068 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.437 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 132.14 -131.76 6.4 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.29 146.68 40.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 t -123.9 122.46 38.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.464 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 167' ' ' PHE . 7.1 p -111.55 162.66 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.384 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 124.64 61.97 0.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -38.27 148.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.532 ' CZ2' ' OD2' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -179.89 89.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.16 118.46 0.79 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.0 t -176.18 134.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -165.82 -77.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.366 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 64.15 79.38 0.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -93.6 142.96 26.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.18 142.91 33.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -123.21 -55.15 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.71 150.23 5.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.58 168.29 9.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.24 158.45 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -105.66 173.24 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -105.01 172.52 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.99 172.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 154.25 0.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 64.87 135.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 138.64 171.57 12.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -172.55 109.11 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -176.26 165.7 2.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.409 1.068 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.04 178.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.461 ' O ' ' CD1' ' A' ' 141' ' ' LEU . . . -170.13 174.97 44.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.618 1.199 . . . . 0.0 110.982 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 140' ' ' GLY . 0.8 OUTLIER -165.25 148.76 8.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 0.719 . . . . 0.0 109.349 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -172.75 157.63 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -177.77 125.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -110.44 94.03 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.62 -38.43 74.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.55 143.05 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -140.28 -172.42 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.85 169.24 20.13 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.25 -162.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 110.043 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.7 -174.44 4.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.91 -171.31 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' THR . . . . . 0.498 ' CG2' ' OD2' ' A' ' 154' ' ' ASP . 3.4 t -170.56 165.36 8.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.46 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.73 -15.89 31.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.498 ' OD2' ' CG2' ' A' ' 152' ' ' THR . 4.6 p-10 -93.01 27.92 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -50.08 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.461 HG12 ' N ' ' A' ' 157' ' ' LYS . 0.2 OUTLIER -51.9 -40.93 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 161' ' ' ALA . 12.6 pttt -65.01 -31.01 72.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.3 t -74.31 -60.66 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.002 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.573 ' CH2' HD12 ' A' ' 163' ' ' LEU . 28.2 t90 -53.14 -57.35 10.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 25' ' ' GLU . 69.8 t -50.52 -51.76 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 157' ' ' LYS . . . -54.76 -31.61 58.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.645 1.215 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.85 -49.28 39.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.573 HD12 ' CH2' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -58.1 -53.65 55.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.534 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -63.85 -35.2 79.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -52.56 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.476 ' HB2' ' CG2' ' A' ' 117' ' ' VAL . 14.9 mt-10 -51.89 -61.35 2.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.633 1.208 . . . . 0.0 110.222 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.65 ' CE1' ' CG1' ' A' ' 117' ' ' VAL . 15.9 m-30 -44.7 -25.1 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . 129.25 84.22 0.38 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.387 1.054 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 164' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -121.11 137.36 54.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.472 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -175.06 73.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.449 ' CG2' HD11 ' A' ' 51' ' ' ILE . 1.1 mp -84.59 149.07 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.564 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -135.28 171.6 22.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.55 116.37 15.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.6 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 8.5 m-85 -125.69 128.8 48.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.648 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -128.33 179.95 5.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.4 -64.81 0.68 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -138.87 115.95 10.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 0.785 . . . . 0.0 110.396 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -155.24 175.09 14.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 p -140.42 -167.13 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.3 167.37 31.86 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.594 1.184 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.57 -73.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.0 p -52.16 -174.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -38.84 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.479 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 1.0 OUTLIER -170.97 106.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.931 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -55.41 -47.24 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.468 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.67 -33.27 33.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -39.4 69.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.421 1.076 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 17' ' ' SER . 2.5 mp -66.51 -56.98 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.194 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.617 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 2.4 tp -55.9 -33.13 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.69 -54.28 44.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.627 1.204 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.12 -40.42 97.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.627 1.204 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' HG3' ' CG ' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -57.17 -49.74 75.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.523 ' HA ' ' CG1' ' A' ' 160' ' ' VAL . 0.6 OUTLIER -49.75 -21.28 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.99 67.27 2.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 170.62 -158.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.3 -18.53 12.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.06 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -48.43 99.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 HG21 ' CG ' ' A' ' 23' ' ' ARG . 3.0 t -156.13 81.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.564 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 51.0 p -112.72 99.41 7.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -94.69 164.78 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.648 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -76.76 -0.68 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.596 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.455 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 2.8 m-20 -39.25 -30.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' HIS . 19.6 m -84.6 50.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -60.69 -14.37 20.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -71.23 -5.43 31.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.35 -171.58 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.44 168.32 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 110.289 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.597 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 5.8 m -64.22 -12.83 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.431 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 15.5 p -54.19 -29.84 47.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.411 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.516 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -57.4 -53.5 57.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.6 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.5 pp -77.2 -23.46 51.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.431 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 41.0 t30 -62.7 -31.14 71.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.243 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.95 -40.62 68.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.634 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -95.39 118.3 31.89 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.528 1.142 . . . . 0.0 111.108 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.477 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 3.6 mt-30 -84.63 40.88 0.82 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.477 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -155.12 113.47 3.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.073 . . . . 0.0 110.955 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD12 ' CE1' ' A' ' 7' ' ' PHE . 3.8 mm? -141.56 162.91 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.449 HD11 ' CG2' ' A' ' 4' ' ' ILE . 2.8 mp -118.1 148.3 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.406 ' N ' HG22 ' A' ' 51' ' ' ILE . 1.9 mm -112.3 119.43 60.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -116.19 77.92 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.97 94.21 10.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.24 6.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.423 1.749 . . . . 0.0 111.009 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -91.49 -169.84 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.36 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -174.86 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -55.47 160.21 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.4 mp -105.51 140.32 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.2 110.21 3.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.587 1.18 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -164.12 -52.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.316 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 mp -97.85 177.32 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.26 143.27 32.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -179.95 143.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -157.71 129.55 6.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -125.6 79.57 1.83 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -128.31 158.95 36.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -178.96 73.6 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 111.085 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.87 160.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.238 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 3.8 p90 -137.99 61.03 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.55 ' CA ' ' CG1' ' A' ' 41' ' ' VAL . 3.9 p -179.96 47.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.934 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.88 156.9 17.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -53.61 -25.58 18.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.42 ' N ' HD23 ' A' ' 73' ' ' LEU . 17.7 t0 -68.16 -20.54 64.89 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.09 -63.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.597 ' CG1' ' CG2' ' A' ' 41' ' ' VAL . 7.7 m -40.31 152.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.308 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -88.51 44.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.626 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 1.9 m-30 -38.02 134.68 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -139.29 124.21 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 49.61 66.16 2.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.728 ' HZ1' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -128.77 171.44 12.23 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.722 ' CD1' ' CE1' ' A' ' 167' ' ' PHE . 0.9 OUTLIER -106.19 135.35 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.245 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.484 ' CG2' ' HE3' ' A' ' 81' ' ' LYS . 1.0 OUTLIER -135.27 121.36 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.536 ' HA ' ' CG2' ' A' ' 117' ' ' VAL . . . -101.91 119.84 39.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CE2' ' CE2' ' A' ' 119' ' ' TYR . 13.2 t80 -97.97 123.49 42.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.94 138.26 47.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.01 88.11 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.4 p -60.45 136.27 58.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.448 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.76 93.79 1.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.05 114.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 0.77 . . . . 0.0 109.257 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -136.01 135.45 39.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -150.5 -56.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.82 -107.33 0.69 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.4 ' N ' ' CD1' ' A' ' 94' ' ' TYR . 14.8 p90 -144.37 51.67 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -147.8 82.68 1.51 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.78 113.03 16.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.9 159.53 16.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.242 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -172.79 134.15 0.6 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -135.45 -58.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.617 1.198 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.95 154.05 10.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -119.22 97.29 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.076 . . . . 0.0 109.25 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.5 mt -97.71 101.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.83 157.63 14.86 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.509 1.131 . . . . 0.0 110.953 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 14.7 tt -72.46 89.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.579 0.811 . . . . 0.0 109.248 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.44 146.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.79 -67.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.12 -40.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.238 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -42.01 141.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.728 HG23 ' HZ1' ' A' ' 81' ' ' LYS . 1.1 mp -53.03 -52.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 116' ' ' THR . 53.9 m -58.76 -40.31 83.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -86.67 11.61 12.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.371 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -54.94 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.075 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -178.08 98.12 0.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 159.82 169.17 22.79 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 146.5 31.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 0.812 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 110' ' ' SER . 81.3 p -117.39 122.44 43.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.574 1.171 . . . . 0.0 110.433 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.536 ' CG2' ' HA ' ' A' ' 84' ' ' ALA . 11.8 m -107.17 142.89 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 90.2 5.22 70.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.55 ' CE2' ' CE2' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -131.48 -61.89 0.89 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 0.745 . . . . 0.0 110.972 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -75.71 158.44 32.3 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.46 91.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 110.064 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.2 p -83.19 155.31 23.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -172.06 147.41 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 149.76 56.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 126' ' ' ASP . 57.5 t80 -172.32 162.71 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.445 ' O ' ' CD2' ' A' ' 125' ' ' TYR . 14.8 t0 -87.01 154.08 21.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -104.89 -54.34 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -178.7 162.09 1.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -149.68 108.09 3.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 60.1 p -72.75 155.01 40.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.928 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -168.09 113.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -101.69 56.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -122.8 161.95 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.363 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.72 33.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -163.45 96.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -132.91 128.38 5.1 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.61 1.194 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.507 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -91.11 -65.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.507 ' CD1' ' HB3' ' A' ' 137' ' ' LYS . 24.9 p90 -174.92 -43.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.065 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.422 ' N ' ' CD2' ' A' ' 138' ' ' PHE . 18.2 t -140.82 146.38 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.393 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 159.75 89.1 0.07 OUTLIER Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.58 1.175 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.07 144.15 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 0.717 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.19 162.6 23.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.4 mp -134.11 128.84 34.98 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -64.9 111.71 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -59.57 4.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.419 1.075 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.37 107.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -138.8 126.86 22.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -87.12 118.46 26.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.48 164.13 24.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -122.72 162.87 21.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.58 155.41 25.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 16.9 p -96.04 169.91 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.17 -50.88 4.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.463 ' HB3' ' CD ' ' A' ' 157' ' ' LYS . 46.9 m-20 -78.91 55.93 1.84 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -55.85 -40.74 73.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.406 ' CG2' ' HG2' ' A' ' 25' ' ' GLU . 1.6 mp -56.48 -52.54 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.463 ' CD ' ' HB3' ' A' ' 154' ' ' ASP . 26.5 mtpt -48.52 -43.01 34.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 161' ' ' ALA . 8.1 t -57.44 -64.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.186 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.566 ' CH2' HD11 ' A' ' 163' ' ' LEU . 32.8 t90 -46.3 -57.93 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 108.029 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.617 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 87.3 t -50.0 -31.26 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 158' ' ' SER . . . -68.48 -33.99 75.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.503 ' HG2' ' CD2' ' A' ' 163' ' ' LEU . 1.9 pt20 -74.58 -39.2 62.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.566 HD11 ' CH2' ' A' ' 159' ' ' TRP . 4.6 mt -60.85 -54.09 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 164' ' ' LYS . 0.2 OUTLIER -61.52 -35.02 76.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -64.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.466 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.7 OUTLIER -67.43 -54.53 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.722 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 8.5 m-30 -35.74 -52.62 0.71 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -86.17 -72.62 1.29 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.247 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.93 151.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.528 ' HZ1' HG22 ' A' ' 32' ' ' THR . 0.7 OUTLIER 179.81 70.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.523 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -73.93 135.43 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.536 ' HA3' ' O ' ' A' ' 32' ' ' THR . . . -138.06 -179.92 17.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -140.61 116.3 10.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.726 . . . . 0.0 109.319 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.624 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 9.6 m-85 -121.11 143.9 48.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -138.18 123.43 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -38.96 -29.33 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -168.09 167.95 12.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 110.421 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -103.1 174.12 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -150.09 35.41 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.99 147.81 0.15 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -175.84 144.84 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 0.801 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -131.91 79.77 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.471 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.97 151.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.227 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 p -99.91 57.9 1.0 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.652 1.22 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.6 m -62.42 -38.16 80.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.469 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.61 -31.87 26.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.94 -39.97 65.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.69 -56.27 14.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.102 HD13 ' CG2' ' A' ' 160' ' ' VAL . 4.2 tp -57.1 -33.41 42.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.464 ' CG ' HG23 ' A' ' 31' ' ' VAL . 1.6 tmt_? -62.98 -53.84 47.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.301 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.12 -34.76 64.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.954 ' HB3' ' CG1' ' A' ' 160' ' ' VAL . 63.4 mm-40 -65.79 -49.73 67.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.914 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -53.68 -18.76 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.16 64.51 4.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 169.99 -172.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.774 . . . . 0.0 109.259 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.86 -16.14 18.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.221 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG22 ' CD1' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -47.94 99.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.464 HG23 ' CG ' ' A' ' 23' ' ' ARG . 53.1 t -156.19 85.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.536 ' O ' ' HA3' ' A' ' 5' ' ' GLY . 7.7 p -113.13 99.43 7.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -104.02 166.51 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.387 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -59.9 -15.49 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.575 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 9.1 m-20 -37.35 -33.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.415 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.9 m -81.22 53.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.1 t -63.64 -11.1 22.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -5.68 32.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.98 -171.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.354 1.034 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' C ' ' OG ' ' A' ' 71' ' ' SER . 6.4 mt-10 -115.02 -175.14 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.361 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.457 HG12 ' CA ' ' A' ' 71' ' ' SER . 2.4 m -65.74 -11.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -58.48 -27.48 64.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.542 1.151 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.464 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -68.74 -54.64 14.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.624 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.3 pp -62.68 -27.46 69.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.417 ' N ' HD11 ' A' ' 44' ' ' LEU . 10.3 t30 -74.5 -30.96 62.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.04 -39.23 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.65 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.63 145.81 28.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.508 ' CB ' ' HB3' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -107.79 39.1 2.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.225 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -155.4 113.63 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.515 ' CD1' ' HB2' ' A' ' 44' ' ' LEU . 46.9 mt -151.74 165.03 35.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.464 ' CG1' ' HB2' ' A' ' 84' ' ' ALA . 3.1 mp -130.29 153.96 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 mt -125.42 157.89 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.63 26.23 2.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.112 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.1 p -154.92 158.21 32.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 151.07 38.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.589 1.836 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.6 p -125.02 -42.12 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 13.1 p90 -44.9 110.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.035 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -150.01 107.62 3.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 tp -57.2 135.63 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.573 1.171 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.59 99.63 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -178.47 69.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.612 0.831 . . . . 0.0 110.264 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -142.72 -66.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -88.04 162.46 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.598 1.186 . . . . 0.0 110.269 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -58.32 133.94 56.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.968 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -117.88 144.38 45.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -124.45 -48.94 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 107.941 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.47 133.43 45.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.47 -131.06 5.31 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.515 1.134 . . . . 0.0 111.061 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.428 ' CD1' ' OD1' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -118.58 -171.03 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 0.699 . . . . 0.0 109.285 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -88.1 -70.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.457 ' CA ' HG12 ' A' ' 41' ' ' VAL . 10.4 t -179.93 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' ASP . 16.1 mp0 -105.0 166.36 10.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.804 ' CD2' HG12 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -44.69 -26.98 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.428 ' OD1' ' CD1' ' A' ' 69' ' ' LEU . 1.0 OUTLIER -51.31 -22.05 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -100.26 -44.65 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.611 HG11 ' CE1' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -54.08 -171.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.0 p-10 -145.81 66.77 1.21 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CE1' HG11 ' A' ' 76' ' ' VAL . 6.2 m-30 -61.49 113.54 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.45 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 1.8 m-80 -129.72 61.9 1.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.94 58.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.84 ' O ' ' HA3' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -147.14 169.44 19.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.392 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.463 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 1.0 OUTLIER -96.36 128.17 43.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.73 ' O ' ' HA ' ' A' ' 116' ' ' THR . 0.0 OUTLIER -131.59 123.29 52.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.797 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.93 162.4 12.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.658 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 0.3 OUTLIER -129.08 130.65 46.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.931 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.747 ' CD2' ' CH2' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -76.34 132.34 39.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -125.53 91.02 0.39 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.5 t -107.3 58.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 110.4 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.85 107.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -157.91 145.93 18.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.591 0.818 . . . . 0.0 109.272 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.546 HE21 ' HB2' ' A' ' 121' ' ' SER . 0.3 OUTLIER -170.97 103.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.197 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.52 120.3 50.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.088 . . . . 0.0 109.284 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 39.66 -155.34 0.03 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.496 ' O ' ' CG ' ' A' ' 94' ' ' TYR . 2.3 p90 -161.14 127.6 3.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 0.788 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -179.34 121.73 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.16 138.18 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -108.17 162.12 14.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -48.94 168.05 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -157.02 -54.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 110.327 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -42.11 -51.63 4.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -134.43 128.67 33.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -157.5 -48.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.24 72.84 1.25 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 18.7 pt -129.55 132.2 66.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 109.299 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.72 -42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -111.2 84.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.37 -74.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 150.74 30.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.804 HG12 ' CD2' ' A' ' 73' ' ' LEU . 1.7 mp -51.81 -52.62 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.418 ' CB ' ' HB ' ' A' ' 116' ' ' THR . 0.7 OUTLIER -55.57 -62.12 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.065 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -54.1 -19.41 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.308 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -75.37 -42.57 53.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.417 ' HA3' ' C ' ' A' ' 79' ' ' ASN . . . 173.44 127.41 0.98 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.84 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 119.09 -140.27 14.95 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.65 154.56 41.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 0.808 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.73 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -122.55 147.32 46.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.573 1.17 . . . . 0.0 110.373 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.797 HG22 ' HA ' ' A' ' 84' ' ' ALA . 5.9 m -135.84 152.73 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 116.82 48.96 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -38.38 158.12 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.573 0.808 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -160.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 107.983 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.546 ' HB2' HE21 ' A' ' 91' ' ' GLN . 48.8 m -128.8 131.23 47.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.7 p -149.4 -73.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.7 134.52 57.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 137.99 98.95 0.48 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.59 170.39 8.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 0.79 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.52 158.75 16.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -54.81 166.88 0.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -109.46 156.58 19.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -109.46 144.73 37.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 36.3 p -66.43 158.32 29.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.62 -48.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.428 ' CB ' ' HE2' ' A' ' 137' ' ' LYS . . . -60.87 -173.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.94 -63.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.435 ' HA ' ' HZ1' ' A' ' 137' ' ' LYS . 5.0 tmm_? -171.37 105.52 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 40.2 t30 176.66 51.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 39.81 86.2 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.435 ' HZ1' ' HA ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -171.99 179.6 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 109.239 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.428 ' O ' ' CG1' ' A' ' 139' ' ' VAL . 0.4 OUTLIER -176.55 92.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' A' ' 138' ' ' PHE . 34.6 m -154.74 163.3 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.36 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 177.28 151.51 9.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 30.1 mt -94.11 165.48 12.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.606 0.827 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -94.88 170.18 9.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.0 mt -142.03 -175.77 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.91 55.5 2.95 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.396 1.06 . . . . 0.0 109.268 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.08 -58.33 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.93 141.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -109.55 174.01 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.237 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.9 163.11 0.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 110.303 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.8 m -129.89 142.65 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.37 147.8 24.85 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.599 1.187 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -62.05 -172.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 96.0 m -131.38 154.68 48.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 110.385 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -82.12 -27.84 32.58 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.417 1.073 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -92.99 24.55 3.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -75.89 -56.53 4.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -52.32 -44.95 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -31.04 71.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -61.79 -71.76 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.747 ' CH2' ' CD2' ' A' ' 86' ' ' PHE . 17.7 t90 -46.23 -51.08 15.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 108.01 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 1.102 ' CG2' HD13 ' A' ' 22' ' ' ILE . 33.1 t -51.37 -40.61 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -69.31 -31.59 70.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.57 -46.05 80.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.565 HD13 ' CH2' ' A' ' 159' ' ' TRP . 0.2 OUTLIER -71.84 -54.22 10.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.914 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -53.71 -39.85 65.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 12.8 m -61.92 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.526 ' CB ' ' CG1' ' A' ' 117' ' ' VAL . 4.2 mm-40 -46.04 -61.92 1.55 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.721 ' CE1' ' HB1' ' A' ' 84' ' ' ALA . 13.1 m-30 -37.53 -60.27 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -178.47 79.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.17 147.4 0.24 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.64 71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.569 ' CD1' HG13 ' A' ' 30' ' ' VAL . 1.1 mt -97.56 137.85 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.59 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -136.9 -175.77 13.98 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.22 117.18 8.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.62 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 7.9 m-85 -125.24 127.07 46.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.615 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.6 OUTLIER -122.57 179.78 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 111.036 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.33 -50.41 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.406 1.066 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.6 t -103.57 174.29 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 0.822 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -95.52 137.08 35.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.1 p -147.61 -59.66 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.357 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.4 167.99 52.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.432 1.082 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.87 177.07 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.212 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 16' ' ' GLU . 41.9 p -59.33 -67.33 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -145.21 116.19 7.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.4 1.062 . . . . 0.0 110.372 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.97 -66.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 m -55.27 -37.3 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -57.44 -33.29 67.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -37.96 66.59 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.485 HG21 HG22 ' A' ' 156' ' ' ILE . 2.4 mp -66.69 -56.36 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.762 ' CD1' HG22 ' A' ' 160' ' ' VAL . 2.6 tp -55.07 -36.95 40.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.466 ' CG ' HG22 ' A' ' 31' ' ' VAL . 3.6 tmt_? -59.2 -53.99 51.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -62.01 -40.88 97.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.861 ' OE2' ' CE ' ' A' ' 157' ' ' LYS . 65.1 mm-40 -57.62 -49.92 74.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.335 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.619 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 0.7 OUTLIER -55.21 -17.61 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.073 179.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.7 45.6 93.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.402 1.064 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -173.48 155.9 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -70.34 -7.78 45.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 4' ' ' ILE . 2.2 t -55.71 100.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 2.8 t -156.44 81.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.59 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 20.5 p -108.3 98.92 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.185 . . . . 0.0 110.425 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -95.24 164.09 12.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.615 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.57 2.4 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.651 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 4.8 m-20 -37.9 -32.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' A' ' 34' ' ' HIS . 5.4 m -83.38 51.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -60.46 -13.92 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -5.6 31.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.92 -171.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.15 167.89 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.234 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.542 ' CG1' ' CA ' ' A' ' 71' ' ' SER . 4.1 m -65.41 -11.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 p -53.77 -27.49 29.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.404 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -67.56 -53.51 27.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.62 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.5 pp -68.45 -22.87 64.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.448 ' N ' HD13 ' A' ' 44' ' ' LEU . 43.7 t30 -75.19 -30.72 60.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.566 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 12.3 t0 -63.85 -40.14 95.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.625 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -100.65 143.68 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 111.047 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.512 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.8 OUTLIER -107.7 40.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.512 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -155.83 113.23 3.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' ' 44' ' ' LEU . 26.7 mt -149.57 165.58 31.81 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.759 HG21 ' CH2' ' A' ' 159' ' ' TRP . 3.6 mp -127.3 158.6 38.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.3 mt -130.92 170.63 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.2 52.68 0.41 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.579 1.175 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.85 153.77 89.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -59.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.403 1.738 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.1 m -70.85 99.72 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -154.23 80.2 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -124.66 -57.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.21 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.7 pt -129.39 178.85 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.226 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 170.53 78.98 0.04 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.49 1.119 . . . . 0.0 111.062 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.5 93.6 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 mt -177.31 159.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -43.56 132.0 4.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.5 162.42 14.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.935 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.89 113.65 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -50.76 120.64 4.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.052 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -156.93 74.24 0.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.087 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.91 140.92 11.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' SER . 7.6 mp -104.6 134.46 47.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.41 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 63.9 m-85 -39.67 95.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.542 ' CA ' ' CG1' ' A' ' 41' ' ' VAL . 83.7 p 179.95 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -105.28 151.02 24.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.406 ' HA ' HG21 ' A' ' 76' ' ' VAL . 0.6 OUTLIER -57.17 -26.11 60.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.6 -20.97 66.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 70' ' ' TYR . 18.1 t70 -78.57 -63.08 1.49 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.598 HG22 ' CD1' ' A' ' 78' ' ' PHE . 13.7 m -44.38 150.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -86.34 47.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.598 ' CD1' HG22 ' A' ' 76' ' ' VAL . 1.5 m-30 -38.81 105.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.09 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -63.62 -151.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.646 1.216 . . . . 0.0 109.235 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . -67.01 57.58 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.377 1.048 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.495 ' HD3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.2 171.39 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.352 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.745 ' CD1' ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -100.84 138.73 37.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.488 ' CG2' ' HE2' ' A' ' 81' ' ' LYS . 0.5 OUTLIER -140.24 121.17 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.571 ' HA ' ' CG2' ' A' ' 117' ' ' VAL . . . -101.92 157.34 16.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.596 ' O ' ' NE1' ' A' ' 159' ' ' TRP . 0.1 OUTLIER -130.08 134.17 47.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.393 1.058 . . . . 0.0 111.022 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.601 ' HA ' ' NE1' ' A' ' 159' ' ' TRP . 0.1 OUTLIER -84.51 146.74 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 111.053 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.4 86.52 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.4 m -98.29 -59.94 1.65 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 110.395 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.98 -119.75 9.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.8 178.15 6.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.573 0.807 . . . . 0.0 109.262 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -108.76 48.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.5 pt -131.51 176.09 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -110.94 151.42 17.7 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.27 151.41 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.33 177.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.06 163.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -90.5 174.35 7.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -85.44 164.61 17.78 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -96.65 -58.88 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.608 1.193 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -62.75 143.71 57.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -108.89 173.71 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.406 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -123.73 111.82 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -137.34 47.23 0.96 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 105' ' ' LEU . 21.2 mt -105.32 149.49 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.766 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.417 ' N ' HG22 ' A' ' 104' ' ' ILE . 0.9 OUTLIER -53.57 141.76 24.66 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.631 1.207 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 179.99 131.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -38.86 105.8 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.426 1.079 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -176.64 124.5 0.16 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.449 1.093 . . . . 0.0 109.36 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.83 -33.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.387 1.054 . . . . 0.0 109.356 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.78 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.441 ' HG3' ' CG2' ' A' ' 116' ' ' THR . 1.4 mt-30 -92.0 -46.66 7.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 4.3 tpt180 -58.97 -15.77 14.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 79' ' ' ASN . . . -108.46 27.15 14.32 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 124.393 1.058 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.452 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 112.5 -118.06 4.53 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.624 0.838 . . . . 0.0 111.024 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -119.17 147.78 43.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.796 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.441 ' CG2' ' HG3' ' A' ' 111' ' ' GLN . 4.0 t -131.93 137.52 47.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.419 1.074 . . . . 0.0 110.403 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.571 ' CG2' ' HA ' ' A' ' 84' ' ' ALA . 10.2 m -125.08 142.83 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.97 70.4 0.13 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.43 1.081 . . . . 0.0 111.082 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -159.97 142.44 13.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.626 0.839 . . . . 0.0 110.998 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -153.65 133.09 12.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.59 -62.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.1 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 66.3 p -42.14 156.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -157.07 -57.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 101.8 -58.53 0.62 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -39.79 -51.37 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 111.052 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.33 118.64 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.366 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -116.34 -54.67 2.45 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 51.41 92.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -177.06 93.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.14 164.58 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.915 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.3 151.54 31.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.05 148.07 32.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mt -128.26 -63.9 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 140.81 57.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -179.88 146.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -171.54 57.53 0.17 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -69.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 0.717 . . . . 0.0 109.383 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.64 166.25 14.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 33.3 m -66.35 161.68 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 169.78 98.13 0.11 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.563 1.164 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.66 128.03 26.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.787 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.04 122.2 26.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.96 150.69 41.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -112.58 57.03 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.79 -56.48 17.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -47.31 100.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -136.08 137.97 41.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -166.59 134.06 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 19.1 t -174.08 154.97 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.934 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.97 140.45 0.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.58 129.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 1.7 m -164.45 135.93 4.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.354 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.3 -49.39 64.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -70.31 60.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.424 ' CG ' HD11 ' A' ' 156' ' ' ILE . 9.6 ttm180 -75.79 -56.34 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.244 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.541 ' N ' ' CD1' ' A' ' 156' ' ' ILE . 1.2 mm -70.62 -41.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.861 ' CE ' ' OE2' ' A' ' 25' ' ' GLU . 6.1 mttt -59.35 -31.35 69.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.0 t -74.34 -66.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.057 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.759 ' CH2' HG21 ' A' ' 51' ' ' ILE . 50.7 t90 -44.06 -53.02 6.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 107.942 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.762 HG22 ' CD1' ' A' ' 22' ' ' ILE . 13.7 t -51.2 -51.85 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.54 -32.29 62.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.3 -44.76 74.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.422 1.076 . . . . 0.0 110.307 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.569 HD13 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -65.35 -53.73 39.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.242 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.619 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -59.51 -33.28 71.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -67.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.493 ' HG2' ' CG1' ' A' ' 117' ' ' VAL . 1.6 tp10 -60.67 -57.48 12.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.345 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.745 ' CE1' ' CD1' ' A' ' 82' ' ' LEU . 11.0 m-30 -37.57 -61.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.75 -75.63 0.65 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 109.287 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' CB ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -111.18 -175.89 2.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -175.31 48.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.69 161.26 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.528 ' HA3' ' O ' ' A' ' 32' ' ' THR . . . -169.86 -144.52 4.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -153.78 127.86 9.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.231 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.583 ' CD1' HD11 ' A' ' 50' ' ' LEU . 8.5 m-85 -126.14 141.93 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -132.98 166.5 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 110.956 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.97 -61.9 2.45 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.9 p -137.83 95.43 3.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 110.42 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.72 171.2 15.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.4 p -148.42 -54.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.43 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.18 -120.02 6.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.593 1.183 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -105.51 155.17 19.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.1 p -48.63 -55.94 9.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -179.95 77.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.476 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -121.32 -78.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 m -55.31 -36.61 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' CB ' HD13 ' A' ' 33' ' ' LEU . . . -51.55 -45.76 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -34.74 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -61.3 -56.68 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.574 HD11 ' CG2' ' A' ' 160' ' ' VAL . 6.8 tp -54.83 -42.15 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.498 ' C ' ' CD ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -51.77 -51.41 56.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' N ' ' CD ' ' A' ' 23' ' ' ARG . 35.6 t0 -63.94 -37.48 87.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.474 ' HB3' HG13 ' A' ' 160' ' ' VAL . 59.0 mm-40 -58.38 -49.99 75.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.629 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 1.7 m-85 -49.7 -21.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.19 -46.29 2.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -90.83 -172.14 3.26 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.405 0.709 . . . . 0.0 109.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 28.4 t0 -95.8 0.55 52.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.457 HG12 ' CB ' ' A' ' 2' ' ' LYS . 1.6 m -59.52 99.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 29' ' ' ASP . 0.7 OUTLIER -155.68 98.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.528 ' O ' ' HA3' ' A' ' 5' ' ' GLY . 11.4 p -129.56 99.1 5.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.491 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -104.63 158.32 16.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.426 ' C ' ' N ' ' A' ' 36' ' ' VAL . 37.5 p-80 -39.21 -30.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.596 1.185 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -39.09 -31.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 34' ' ' HIS . 31.5 m -79.9 55.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 1.2 p -71.89 -4.99 31.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -5.47 32.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.486 ' CB ' ' OD2' ' A' ' 43' ' ' ASP . . . -133.0 143.39 49.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.16 -169.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.466 ' CG1' ' HA ' ' A' ' 71' ' ' SER . 5.5 m -67.5 -11.7 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.0 t -56.0 -29.04 59.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.611 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -61.85 -53.19 59.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.585 HD12 ' CE1' ' A' ' 78' ' ' PHE . 3.3 pp -72.25 -23.04 61.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.439 ' N ' HD11 ' A' ' 44' ' ' LEU . 54.5 t30 -67.07 -33.24 75.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -76.71 -41.27 45.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.619 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.49 111.68 23.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.64 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.5 pt20 -87.86 40.86 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.64 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -147.69 110.48 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.583 HD11 ' CD1' ' A' ' 7' ' ' PHE . 37.4 mt -153.64 140.84 19.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.467 HG22 ' CH2' ' A' ' 159' ' ' TRP . 2.7 mt -96.16 162.3 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 mt -119.89 153.68 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.99 -84.0 1.76 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p 179.98 66.6 0.15 Allowed Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -88.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.535 1.808 . . . . 0.0 111.012 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -110.28 158.91 17.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.072 . . . . 0.0 110.5 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -118.32 -56.03 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 108.068 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 51.39 98.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' A' ' 59' ' ' ILE . 1.5 tp -92.19 97.19 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.17 -161.81 26.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.95 -62.48 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 tt -158.08 120.57 3.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.41 1.069 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.45 109.57 1.29 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.398 1.061 . . . . 0.0 110.275 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m 179.98 116.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.065 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -156.51 103.42 2.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.91 126.13 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 108.052 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -61.29 -85.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.359 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.99 -91.49 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.421 1.076 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 0.1 OUTLIER -122.25 156.39 33.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -92.45 49.66 1.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.466 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 0.1 OUTLIER -158.3 38.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.07 . . . . 0.0 110.042 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 74' ' ' ASP . 26.1 tt0 -105.03 102.34 11.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.63 ' CD2' ' CD1' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -44.6 -27.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 72' ' ' GLU . 31.4 t70 -49.1 -23.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -57.64 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.5 t -51.35 142.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.412 1.07 . . . . 0.0 109.265 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -88.84 62.41 6.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.585 ' CE1' HD12 ' A' ' 44' ' ' LEU . 1.7 m-30 -50.92 120.78 5.16 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.54 127.51 49.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.6 14.71 29.81 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.574 ' HD2' ' CD1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -73.75 169.83 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.57 ' C ' ' CD1' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -118.55 131.33 56.22 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.416 1.073 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 3.0 t -135.89 132.53 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.483 ' HA ' ' CG1' ' A' ' 117' ' ' VAL . . . -101.36 162.84 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -132.88 131.96 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.27 -52.45 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.5 136.72 4.45 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.1 m -53.49 -60.81 2.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 0.804 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.01 -137.36 2.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.55 103.16 15.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.456 ' O ' ' NE1' ' A' ' 120' ' ' TRP . 0.0 OUTLIER -144.17 143.47 31.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.36 -51.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 48.57 -130.49 21.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -177.71 125.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -159.04 -172.42 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -159.86 173.37 16.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -55.11 153.08 7.04 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.53 1.144 . . . . 0.0 109.23 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -174.87 140.92 0.58 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -41.09 126.69 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.192 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -70.1 134.34 48.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.4 1.063 . . . . 0.0 109.302 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.19 145.82 52.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 mt -102.17 142.28 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.54 47.58 3.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 8.2 tt -170.29 64.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.583 0.814 . . . . 0.0 109.241 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.63 -83.51 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.305 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -39.97 116.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 110.335 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -174.02 -56.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -113.93 148.83 36.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.63 ' CD1' ' CD2' ' A' ' 73' ' ' LEU . 0.6 OUTLIER -55.76 -32.33 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.545 ' HG ' ' NE2' ' A' ' 111' ' ' GLN . 0.8 OUTLIER -60.31 -61.59 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.389 1.055 . . . . 0.0 110.0 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.545 ' NE2' ' HG ' ' A' ' 110' ' ' SER . 3.8 mp0 -69.26 -32.22 71.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -63.1 -40.55 97.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.71 69.64 0.09 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 110' ' ' SER . . . 164.01 -152.2 21.92 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 146.61 37.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.767 . . . . 0.0 109.235 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.462 ' OG1' ' CB ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -112.28 127.43 55.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.656 ' CG1' ' CZ ' ' A' ' 167' ' ' PHE . 14.6 p -115.24 132.32 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -165.38 66.77 0.21 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -37.77 154.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.456 ' NE1' ' O ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -111.46 -146.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 107.966 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.1 m -51.55 112.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.102 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 80.6 p -40.07 160.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -107.19 -176.68 3.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -53.63 -95.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.578 1.174 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.61 139.25 26.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 111.034 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.85 141.86 38.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -75.56 156.22 35.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 61.23 147.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -175.97 153.96 1.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.0 p -74.77 170.55 15.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.17 -64.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -168.02 173.01 8.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.0 tt -159.88 77.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.373 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -178.63 -57.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -101.13 -56.37 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.14 114.8 7.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.368 1.042 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -131.2 62.24 1.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 137' ' ' LYS . 89.3 m-85 -160.26 149.1 17.12 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.443 1.09 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.59 172.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.64 172.15 55.15 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.555 1.16 . . . . 0.0 110.993 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.92 164.03 27.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.58 165.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 15.5 mt -124.12 177.59 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -77.84 155.61 30.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.64 -51.37 9.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -48.36 113.97 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -116.24 113.54 23.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.96 124.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.72 170.11 5.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.02 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.51 -173.91 2.51 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.7 112.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 6.6 p -90.91 -168.54 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.434 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -89.25 -14.75 35.18 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.465 ' HB2' ' CD ' ' A' ' 157' ' ' LYS . 0.8 OUTLIER -92.95 27.93 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -75.84 -32.37 59.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.49 -52.43 46.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.465 ' CD ' ' HB2' ' A' ' 154' ' ' ASP . 0.0 OUTLIER -50.19 -30.87 12.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 t -73.45 -45.34 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.573 ' CH2' HD11 ' A' ' 163' ' ' LEU . 92.1 t90 -61.17 -55.42 32.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.126 . . . . 0.0 107.998 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.629 ' CG2' ' CD1' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -57.23 -47.96 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.474 ' N ' ' CG1' ' A' ' 160' ' ' VAL . . . -57.51 -32.38 66.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -65.89 -41.06 92.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.573 HD11 ' CH2' ' A' ' 159' ' ' TRP . 0.4 OUTLIER -67.08 -53.37 31.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.571 ' HA ' ' HZ1' ' A' ' 164' ' ' LYS . 0.2 OUTLIER -58.18 -38.75 77.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.586 1.179 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 17.8 m -56.87 -65.41 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.085 . . . . 0.0 110.033 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.473 ' CB ' HG23 ' A' ' 117' ' ' VAL . 2.7 mm-40 -53.44 -55.37 25.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.656 ' CZ ' ' CG1' ' A' ' 117' ' ' VAL . 21.5 m-30 -57.19 -18.2 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -95.61 -87.97 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.09 138.43 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.88 66.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.206 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.422 ' CD1' HG22 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -73.74 147.74 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.587 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -139.61 -179.25 17.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.14 117.19 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.599 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 10.2 m-85 -127.65 133.29 49.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -132.75 177.93 7.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.62 -81.43 0.69 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.609 1.193 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.8 p -97.31 127.89 43.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.384 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.572 ' OE1' ' CD2' ' A' ' 34' ' ' HIS . 3.8 pt20 -122.08 135.58 54.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.242 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.3 p -95.35 99.96 11.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.03 90.37 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.79 -78.28 0.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 0.8 . . . . 0.0 109.332 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -163.63 155.25 16.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.28 134.51 35.28 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 110.343 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 23.9 m -153.11 -68.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.931 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.16 -47.34 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.56 -27.6 11.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.02 -38.71 61.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 17' ' ' SER . 2.2 mp -69.3 -56.16 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.507 ' CD1' HG23 ' A' ' 160' ' ' VAL . 3.9 tp -58.67 -33.49 49.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.568 1.168 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' CG ' HG22 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -61.79 -53.92 49.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.48 -24.58 67.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -75.28 -39.66 59.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.591 ' CE1' ' HD2' ' A' ' 164' ' ' LYS . 1.2 m-85 -77.18 1.94 16.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . 41.09 -162.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.408 ' O ' ' O ' ' A' ' 27' ' ' GLY . 14.9 m-20 47.22 -172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.747 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -96.84 -6.29 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 7.7 m -57.88 98.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 76.0 t -157.04 81.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.587 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 22.0 p -116.5 98.85 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD2' HG12 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -119.09 167.4 11.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.572 ' CD2' ' OE1' ' A' ' 11' ' ' GLN . 26.3 p-80 -39.64 -29.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' LEU . 6.3 t70 -38.41 -31.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.422 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' HIS . 14.8 m -86.93 47.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.5 p -55.1 -18.68 5.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -5.65 32.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -119.97 119.86 34.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.32 -168.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.474 HG23 ' CG2' ' A' ' 76' ' ' VAL . 1.6 m -63.9 -12.41 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 t -57.98 -27.72 63.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.545 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -71.18 -52.83 16.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.599 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 4.1 pp -66.0 -23.92 66.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.447 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -77.95 -31.09 50.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.601 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 30.6 t70 -70.54 -39.2 74.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.601 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -99.64 142.4 31.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.989 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.483 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -107.96 38.99 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.483 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -154.58 112.7 3.51 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.437 1.086 . . . . 0.0 111.057 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' A' ' 44' ' ' LEU . 15.6 mt -149.21 164.71 34.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 52' ' ' ILE . 2.7 mp -118.11 139.1 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.441 ' N ' HG21 ' A' ' 51' ' ' ILE . 1.5 mt -117.08 145.9 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.93 -90.83 0.15 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.3 p -179.92 150.27 0.54 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 162.19 37.22 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 57' ' ' TRP . 18.6 p -106.44 -57.37 2.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.598 1.186 . . . . 0.0 110.379 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.413 ' N ' ' OG1' ' A' ' 56' ' ' THR . 17.9 t90 -179.94 134.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -178.42 154.42 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 60' ' ' GLY . 0.0 OUTLIER -179.84 -40.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.466 ' O ' ' CD1' ' A' ' 59' ' ' ILE . . . 60.47 -120.9 24.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -160.82 -61.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.348 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.86 -69.67 0.08 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.13 123.0 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.359 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.69 -64.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 110.025 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.88 113.35 17.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.075 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -44.14 140.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.029 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -110.05 174.72 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.19 164.18 19.25 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.9 tp -115.01 126.11 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.31 144.23 46.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.0 p -89.51 53.33 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.047 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -105.35 161.33 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.389 1.055 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.515 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -54.05 -27.07 30.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.421 ' N ' HD13 ' A' ' 73' ' ' LEU . 2.9 t70 -45.59 -26.34 0.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' LEU . 2.0 m-20 -87.93 -59.83 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 41' ' ' VAL . 85.6 t -42.81 152.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' N ' HG11 ' A' ' 76' ' ' VAL . 0.6 OUTLIER -95.35 66.81 2.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.58 ' CE2' ' HE3' ' A' ' 81' ' ' LYS . 2.0 m-30 -56.31 134.08 53.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -138.63 144.33 39.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 37.58 54.95 1.73 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.595 1.184 . . . . 0.0 110.974 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.58 ' HE3' ' CE2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -122.89 171.14 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 0.813 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.517 ' HB2' ' CE1' ' A' ' 167' ' ' PHE . 1.2 pp -109.98 134.01 52.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.45 HG11 ' HZ1' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -132.61 119.81 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.89 114.02 27.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.678 ' CD2' ' O ' ' A' ' 117' ' ' VAL . 1.2 p90 -100.9 133.2 45.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.658 ' HB2' ' CZ2' ' A' ' 159' ' ' TRP . 1.0 OUTLIER -102.16 106.11 16.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.31 145.38 15.92 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.512 ' OG1' ' CE1' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -160.69 158.12 28.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 0.802 . . . . 0.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.402 ' N ' HG21 ' A' ' 88' ' ' THR . . . -67.56 -148.71 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -114.4 126.93 55.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.337 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -168.12 146.81 4.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.49 78.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.61 150.06 16.87 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.583 1.177 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -152.87 132.54 13.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.561 0.801 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.46 171.36 14.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -103.9 156.88 17.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.209 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -69.85 137.36 51.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.366 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -168.69 102.35 0.4 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -105.64 124.8 50.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -174.44 -56.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.94 57.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.9 pt -122.06 155.39 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . 105.29 -67.86 0.26 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 6.7 mt -67.82 70.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 109.252 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.0 mt -107.07 136.62 46.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.41 96.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.396 1.06 . . . . 0.0 110.24 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 105' ' ' LEU . 2.8 tp10 -167.95 -149.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.6 OUTLIER -97.0 -177.94 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.2 mm -51.46 -32.25 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.369 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 m -40.8 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.74 -42.14 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 5.3 ttt180 -58.45 -48.8 79.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.224 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -44.28 -54.6 6.23 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.48 1.113 . . . . 0.0 111.07 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.15 -120.64 0.92 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.38 146.63 32.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 0.721 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -123.77 144.84 49.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.367 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.678 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 4.5 m -124.03 162.49 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.619 ' HA3' ' CZ ' ' A' ' 85' ' ' TYR . . . 152.4 44.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 121' ' ' SER . 0.3 OUTLIER -37.44 156.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 0.732 . . . . 0.0 111.024 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -131.99 -48.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.593 ' O ' ' CE2' ' A' ' 119' ' ' TYR . 28.8 t -99.58 -174.76 2.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.069 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.438 ' N ' ' OG ' ' A' ' 121' ' ' SER . 53.8 p -105.92 178.8 4.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.472 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.422 ' CB ' ' OH ' ' A' ' 119' ' ' TYR . 58.5 t0 -179.95 -63.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -98.4 174.89 28.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.565 1.166 . . . . 0.0 110.966 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -176.25 47.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.48 123.08 17.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -110.88 173.74 6.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -129.65 163.37 26.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.16 173.4 16.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -87.15 172.79 9.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -55.43 151.98 9.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.49 164.92 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -152.85 -178.83 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.226 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 135' ' ' ASN . 2.9 ptp180 -40.15 131.1 2.1 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.382 1.051 . . . . 0.0 110.263 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 134' ' ' ARG . 2.1 p-10 41.86 88.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -50.02 -178.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.703 ' HZ1' ' HB2' ' A' ' 137' ' ' LYS . 0.5 OUTLIER -157.69 -63.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -37.83 131.87 0.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 52.4 t -135.19 151.62 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.71 -168.65 28.82 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.58 156.31 31.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -85.65 -173.87 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.18 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.46 164.77 11.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -110.43 94.73 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 -51.63 8.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.568 1.167 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 147' ' ' ASN . 2.9 m-20 -40.43 113.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 146' ' ' ASP . 10.4 t30 35.88 87.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.426 ' OE1' ' CG2' ' A' ' 122' ' ' THR . 4.6 tt0 -120.2 147.48 44.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.0 145.02 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.968 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -97.27 110.4 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 109.285 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.96 75.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 13.9 t -139.56 -171.14 3.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.509 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.46 -29.26 64.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.443 1.089 . . . . 0.0 109.249 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 158' ' ' SER . 75.5 m-20 -92.45 34.13 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -69.82 -56.72 6.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 160' ' ' VAL . 1.0 OUTLIER -66.3 -39.51 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -31.23 71.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 154' ' ' ASP . 3.1 m -67.77 -73.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.658 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 20.0 t90 -42.64 -55.24 3.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 108.022 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.507 HG23 ' CD1' ' A' ' 22' ' ' ILE . 40.9 t -50.64 -53.71 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.53 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -53.29 -30.72 40.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 159' ' ' TRP . 4.2 mt-30 -73.33 -48.29 35.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.55 HD11 ' CH2' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -59.1 -56.53 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.591 ' HD2' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -62.55 -30.99 71.71 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.526 1.142 . . . . 0.0 109.229 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.4 t -58.84 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.443 ' HB3' ' CG1' ' A' ' 117' ' ' VAL . 0.0 OUTLIER -45.07 -57.84 3.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 117' ' ' VAL . 22.5 m-30 -55.57 -21.23 16.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.064 . . . . 0.0 111.03 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -87.44 -78.2 1.26 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.396 0.703 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.564 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.706 ' O ' ' C ' ' A' ' 3' ' ' LYS . 6.7 tttt -132.86 161.62 33.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.356 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.706 ' C ' ' O ' ' A' ' 2' ' ' LYS . 1.9 tptm 6.02 75.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 2' ' ' LYS . 0.8 OUTLIER -76.98 137.58 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.528 ' CA ' ' OG1' ' A' ' 32' ' ' THR . . . -131.12 179.72 16.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -139.13 117.27 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.336 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.618 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 8.5 m-85 -122.89 122.84 39.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.737 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -126.95 150.57 49.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.6 -55.67 19.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.0 p -47.06 149.89 0.86 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 0.719 . . . . 0.0 110.415 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -59.36 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -165.61 80.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.427 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.81 -56.11 5.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.566 1.166 . . . . 0.0 110.963 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.05 139.27 52.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.1 m -54.28 156.1 3.39 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.72 111.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.91 -49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.635 1.209 . . . . 0.0 109.948 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 p -55.08 -31.87 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -63.64 -27.3 69.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -38.64 62.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.47 ' CG2' ' OE1' ' A' ' 25' ' ' GLU . 2.7 mp -69.69 -56.65 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 19' ' ' ALA . 5.5 tp -57.3 -34.65 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.477 ' CG ' HG22 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.58 -53.21 59.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.379 1.049 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.27 -38.47 65.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.522 ' OE2' ' CG2' ' A' ' 160' ' ' VAL . 16.4 mt-10 -62.45 -50.22 72.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.263 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -57.46 -52.65 64.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . 98.92 -81.96 0.58 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.441 1.088 . . . . 0.0 111.067 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.422 ' CB ' HG21 ' A' ' 30' ' ' VAL . 7.8 m-20 -39.3 157.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.62 -17.04 30.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 2.8 m -47.92 100.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.477 HG22 ' CG ' ' A' ' 23' ' ' ARG . 3.0 t -155.31 81.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.528 ' OG1' ' CA ' ' A' ' 5' ' ' GLY . 2.9 p -111.71 156.56 21.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.452 HD12 ' CB ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -158.97 164.0 35.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.097 . . . . 0.0 109.229 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.737 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -64.76 -11.48 37.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.587 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.501 ' N ' ' HD1' ' A' ' 34' ' ' HIS . 33.7 t0 -38.55 -31.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.364 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.9 m -80.7 54.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -68.11 -8.29 36.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.941 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -8.11 50.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.419 1.075 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.7 -171.59 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.373 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -106.24 -169.2 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -71.01 -10.87 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -55.57 -27.83 51.44 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -68.27 -54.19 19.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.618 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.9 pp -66.94 -23.43 65.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.425 ' HB2' ' CG2' ' A' ' 76' ' ' VAL . 43.9 t30 -74.94 -31.23 61.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -63.13 -39.89 96.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.26 144.73 29.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.62 1.2 . . . . 0.0 111.063 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.49 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -107.67 37.42 2.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.607 1.192 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -155.23 114.16 3.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.544 ' CD1' ' HB2' ' A' ' 44' ' ' LEU . 34.6 mt -149.43 165.39 32.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.475 ' CG1' ' HB2' ' A' ' 84' ' ' ALA . 2.7 mp -118.97 142.79 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.423 ' N ' HG23 ' A' ' 51' ' ' ILE . 2.0 mt -125.02 138.18 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.98 -88.84 1.04 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 t -157.46 95.18 2.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -68.2 124.96 24.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.21 169.5 11.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.043 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.65 -179.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mt -71.76 -67.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.15 -71.3 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.8 164.75 17.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.4 0.706 . . . . 0.0 110.336 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.9 tp -121.04 -61.93 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -90.19 138.27 31.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.604 1.19 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.99 150.95 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.598 1.186 . . . . 0.0 110.051 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.36 161.1 33.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -71.84 96.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 108.072 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.16 75.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.33 140.19 7.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.56 1.162 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.9 87.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 0.807 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -142.54 177.97 7.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.0 t -118.03 47.26 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -105.37 148.12 27.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 75' ' ' ASP . 1.8 pt? -58.01 -26.22 62.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -45.4 -25.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.472 ' HB3' ' CG1' ' A' ' 41' ' ' VAL . 1.0 OUTLIER -91.05 -61.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.23 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.624 HG13 ' CE1' ' A' ' 78' ' ' PHE . 1.0 OUTLIER -44.78 168.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.401 1.063 . . . . 0.0 109.257 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -123.53 66.53 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.624 ' CE1' HG13 ' A' ' 76' ' ' VAL . 4.4 m-30 -61.41 106.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 111.059 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -134.6 66.85 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.1 44.01 0.12 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.548 ' HD2' ' CG ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -134.36 166.97 21.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.554 ' CD1' ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -95.55 136.4 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 2.9 t -137.01 128.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.475 ' HB2' ' CG1' ' A' ' 51' ' ' ILE . . . -101.69 114.07 27.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -97.1 115.79 28.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.429 1.081 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -71.06 -64.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.89 76.19 1.17 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.577 1.173 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 t -69.61 -177.73 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 0.737 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -151.46 91.47 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.05 -63.88 1.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.79 152.15 24.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.73 147.91 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.216 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.51 113.98 1.0 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.559 1.162 . . . . 0.0 111.045 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -173.76 101.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 0.816 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.43 59.77 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.407 1.067 . . . . 0.0 109.253 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -179.08 163.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -140.8 91.98 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.67 103.09 0.08 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -171.36 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 1.178 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.84 106.99 13.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.196 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.48 -68.29 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.1 mm -86.88 -70.04 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.54 69.52 1.24 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.2 tp -57.47 151.98 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.18 163.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.18 148.66 48.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -69.37 60.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -131.91 154.24 49.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.6 mm -52.14 -32.6 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.453 ' CA ' ' OG1' ' A' ' 116' ' ' THR . 3.1 m -41.39 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.6 -45.43 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 4.4 ttt-85 -59.05 -17.12 22.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -106.47 39.94 2.68 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.548 1.155 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 106.12 -112.14 3.81 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -126.69 147.69 49.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.453 ' OG1' ' CA ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -130.12 133.93 46.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.102 . . . . 0.0 110.368 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.06 146.09 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 138.63 66.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -51.33 145.26 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -165.88 -60.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 108.03 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 p -61.75 143.33 56.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.8 m -147.99 140.06 24.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.15 147.28 7.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -138.46 139.58 10.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.585 1.178 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -116.95 154.75 30.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.427 0.722 . . . . 0.0 111.085 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -41.53 151.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -111.97 -46.7 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -52.04 160.33 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.561 1.163 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -105.61 162.79 13.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.6 m -52.73 170.38 0.07 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -128.55 173.12 10.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -171.82 161.11 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.455 ' C ' ' CD2' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -129.61 150.55 50.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -58.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 136' ' ' GLY . 7.1 p30 -169.79 -47.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 135' ' ' ASN . . . -86.85 172.07 43.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.459 1.099 . . . . 0.0 111.071 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.62 140.27 3.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.557 0.798 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -162.49 153.88 17.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 111.039 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 33.5 m -107.82 175.74 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 0.0 109.215 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.14 153.76 25.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.19 149.97 51.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 0.767 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.63 162.36 34.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.8 mt -112.68 177.13 4.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -77.04 101.29 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.64 -38.73 72.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 110.266 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.24 153.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.26 157.74 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -85.34 150.18 24.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.04 160.99 14.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.69 140.8 50.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.555 1.159 . . . . 0.0 109.385 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.56 163.32 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 19.1 p -140.21 177.44 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.38 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -85.71 -25.85 26.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -91.6 38.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 23.7 ttt-85 -75.74 -56.65 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.35 -53.45 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.425 ' HZ1' ' HB1' ' A' ' 161' ' ' ALA . 0.0 OUTLIER -58.6 -30.34 67.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -67.82 -63.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.953 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.562 ' CH2' HD13 ' A' ' 163' ' ' LEU . 21.2 t90 -42.14 -56.74 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.522 ' CG2' ' OE2' ' A' ' 25' ' ' GLU . 25.6 t -51.67 -51.92 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.443 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -52.22 -31.96 34.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -71.95 -49.4 37.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 110.331 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.57 ' O ' ' CG ' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -59.74 -54.76 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -61.2 -36.44 79.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.7 OUTLIER -51.85 -62.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.906 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 167' ' ' PHE . 7.9 tp10 -67.88 -56.95 7.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.57 ' CG ' ' O ' ' A' ' 163' ' ' LEU . 11.4 m-30 -37.64 -46.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.13 -72.88 1.04 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.568 1.167 . . . . 0.0 110.931 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 O-C-N 124.488 0.758 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.96 137.33 51.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.24 36.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.513 ' CG2' ' CD1' ' A' ' 51' ' ' ILE . 3.3 mp -73.37 154.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.222 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.602 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -143.03 169.94 25.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.07 116.41 15.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.64 ' CD2' ' CD2' ' A' ' 44' ' ' LEU . 4.9 m-85 -118.04 119.1 33.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.572 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 1.4 p90 -124.99 179.87 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.5 16.04 9.12 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.488 1.117 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -108.32 -140.79 0.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 0.812 . . . . 0.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -120.23 -150.65 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.42 1.075 . . . . 0.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.5 p -63.34 -154.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.14 -129.46 3.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.437 1.085 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 -80.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.466 HG23 ' CG2' ' A' ' 18' ' ' VAL . 6.9 t -45.61 162.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.43 -91.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.288 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.462 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 16.3 m -100.66 80.87 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.944 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 15' ' ' THR . 6.4 t -57.73 -41.36 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.25 -38.14 50.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -31.61 66.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.586 1.179 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.717 HG23 ' CD1' ' A' ' 156' ' ' ILE . 1.9 mp -68.87 -56.32 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.876 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 6.1 tp -55.54 -38.02 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.48 ' CG ' HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.07 -53.84 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.31 -20.63 65.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.813 ' OE2' ' CE ' ' A' ' 157' ' ' LYS . 5.2 mm-40 -76.69 -49.8 15.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.947 ' CE1' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -64.24 -10.33 22.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . 42.82 83.11 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 27' ' ' GLY . 5.5 m-20 155.88 -174.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.584 0.814 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 31' ' ' VAL . 1.3 m-20 -82.56 -20.93 35.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.511 HG23 ' CD1' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -47.34 97.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 30' ' ' VAL . 71.8 t -158.27 80.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.602 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 29.1 p -119.71 98.83 6.3 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.411 1.069 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.461 HD13 ' CB ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -105.99 156.53 18.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.572 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -45.31 -26.04 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.532 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.461 ' CB ' HD13 ' A' ' 33' ' ' LEU . 3.7 t70 -38.19 -31.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' HIS . 9.7 p -76.67 56.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.1 t -74.05 -2.74 25.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.983 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.16 -5.5 32.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.591 1.182 . . . . 0.0 110.204 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.495 ' CB ' ' OD1' ' A' ' 43' ' ' ASP . . . -136.93 138.1 40.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -169.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 71' ' ' SER . 29.0 m -64.61 -12.33 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.8 p -59.07 -27.58 65.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.457 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.562 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -57.81 -53.71 55.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.64 ' CD2' ' CD2' ' A' ' 7' ' ' PHE . 3.6 pp -73.69 -23.08 59.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -66.26 -30.7 71.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.93 -36.89 80.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -96.34 130.34 43.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 111.016 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -90.25 29.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.603 1.189 . . . . 0.0 110.294 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -147.26 112.83 5.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.572 HD13 ' CE1' ' A' ' 7' ' ' PHE . 4.3 mm? -134.53 161.26 35.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.595 1.184 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.567 HG21 ' CZ2' ' A' ' 159' ' ' TRP . 3.9 mp -128.89 148.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.557 HD13 ' CE1' ' A' ' 85' ' ' TYR . 1.6 pt -140.82 167.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' CA ' ' HB3' ' A' ' 86' ' ' PHE . . . -158.58 59.9 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.15 92.87 5.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 69.23 5.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.607 1.846 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -38.83 155.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.414 1.072 . . . . 0.0 110.364 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -135.6 -49.01 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 108.021 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 52.98 175.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.236 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -156.1 -45.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.99 -179.65 21.32 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.528 1.142 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -154.04 -53.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.55 141.41 28.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.56 -59.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.606 1.192 . . . . 0.0 110.402 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.04 -63.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.969 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.11 163.69 13.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.6 p90 -116.43 157.16 25.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -148.07 134.11 19.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.94 129.98 3.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.586 1.179 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.461 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 1.5 pp -173.96 69.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 0.765 . . . . 0.0 109.199 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -138.04 132.34 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.432 ' HB2' ' CG1' ' A' ' 41' ' ' VAL . 5.9 p -106.85 52.86 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.976 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.22 150.15 25.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.446 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -54.15 -27.27 32.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' HD12 ' A' ' 73' ' ' LEU . 3.2 t70 -49.45 -23.82 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 73' ' ' LEU . 1.0 OUTLIER -90.39 -55.47 3.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.2 t -40.38 139.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.35 57.18 1.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.484 ' CE1' HD12 ' A' ' 44' ' ' LEU . 1.2 m-85 -55.68 110.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 111.031 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.26 -153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.08 58.54 0.23 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.438 ' HD2' ' CG ' ' A' ' 78' ' ' PHE . 2.0 mttt -93.85 172.01 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.766 HD12 ' CD2' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -94.9 131.47 40.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 2.8 t -132.97 148.07 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.691 ' HA ' ' CG1' ' A' ' 117' ' ' VAL . . . -115.38 136.47 53.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.557 ' CE1' HD13 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -117.15 112.44 20.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.071 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.545 ' HD2' ' CE2' ' A' ' 159' ' ' TRP . 5.4 t80 -88.12 113.51 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.71 137.52 9.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.2 p -104.09 108.2 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.795 . . . . 0.0 110.409 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -136.89 47.48 0.96 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -149.78 117.35 6.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.269 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.85 58.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.3 mt -89.92 -75.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.22 -153.85 22.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -168.32 97.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.94 147.53 48.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -47.34 113.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.198 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.26 128.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -116.51 -11.58 11.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.57 152.55 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.63 139.71 58.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.13 159.09 15.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 tt -144.46 131.71 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 109.26 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -137.38 -156.8 7.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.8 mm -128.8 87.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.258 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.527 ' O ' ' C ' ' A' ' 106' ' ' GLU . 1.9 mt 179.94 37.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.38 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.527 ' C ' ' O ' ' A' ' 105' ' ' LEU . 3.5 mt-10 -27.24 -45.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 105' ' ' LEU . 3.9 mt-10 -37.52 -52.15 1.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 105' ' ' LEU . 19.4 mmtm -68.48 80.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.467 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 20.7 mm -51.82 -30.6 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.467 ' O ' ' CG2' ' A' ' 116' ' ' THR . 73.5 m -35.14 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.23 -30.99 13.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.35 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.441 ' HG3' ' C ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -88.29 19.67 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.226 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 109' ' ' ILE . . . -130.79 7.31 5.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.28 -119.84 4.51 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -113.08 158.74 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 0.713 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 110' ' ' SER . 1.4 p -133.69 133.51 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.691 ' CG1' ' HA ' ' A' ' 84' ' ' ALA . 4.7 p -100.09 148.89 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -178.29 -149.08 7.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -116.32 118.71 33.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -117.83 -60.24 1.83 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m -114.5 108.91 17.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.079 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 61.7 p -51.34 119.32 3.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.388 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 116.8 7.21 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 161.55 106.65 0.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -77.45 89.19 3.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -44.38 117.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.456 ' CZ ' ' CZ ' ' A' ' 138' ' ' PHE . 0.6 OUTLIER -119.54 -58.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -177.24 88.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.89 103.15 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.0 m -151.53 89.54 1.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.58 76.21 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -143.06 171.9 13.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.239 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 mp -45.48 -61.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -73.46 143.08 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 59.8 t30 177.91 139.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 152.92 85.05 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.17 154.94 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.456 ' CZ ' ' CZ ' ' A' ' 127' ' ' PHE . 0.5 OUTLIER -164.36 41.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.68 154.54 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.37 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 122.57 130.79 3.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -74.01 178.07 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 0.723 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -44.36 126.4 5.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.6 mt -112.58 -178.22 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -57.23 102.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -30.07 62.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.59 110.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.218 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -133.15 165.04 25.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -77.77 164.12 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.24 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 72.1 m -99.96 171.98 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.85 161.46 9.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.02 -169.2 2.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 15.1 t -168.28 147.47 4.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.483 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 155' ' ' ARG . 8.4 t0 -53.06 -58.83 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.466 ' HB3' ' CG ' ' A' ' 157' ' ' LYS . 14.3 m-20 -68.54 68.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 153' ' ' ASP . 39.3 ttp180 -75.9 -56.24 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.717 ' CD1' HG23 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -54.56 -32.3 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 109.246 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.813 ' CE ' ' OE2' ' A' ' 25' ' ' GLU . 9.8 mtpt -67.68 -39.79 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.3 p -69.31 -46.98 65.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 110.047 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.567 ' CZ2' HG21 ' A' ' 51' ' ' ILE . 18.8 t90 -60.19 -63.63 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.876 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 50.6 t -50.84 -32.42 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.385 1.053 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -70.71 -31.61 68.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -73.53 -55.85 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.566 ' O ' ' CG ' ' A' ' 167' ' ' PHE . 0.1 OUTLIER -58.14 -53.9 52.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.947 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -58.77 -38.94 79.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.0 OUTLIER -52.85 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -48.29 -59.72 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.356 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.766 ' CD2' HD12 ' A' ' 82' ' ' LEU . 17.4 m-30 -47.28 -23.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -80.67 -72.67 1.21 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.346 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.73 129.23 42.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.467 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 8.9 tttt -174.8 66.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.413 ' CG2' HD12 ' A' ' 51' ' ' ILE . 1.0 OUTLIER -73.91 146.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.335 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.546 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -138.45 -179.14 16.88 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.65 115.9 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.689 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 7.5 m-85 -127.45 118.88 24.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.742 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -120.22 179.95 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.947 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . -88.28 157.37 27.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.8 m -38.69 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 110.414 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.493 ' O ' ' CG2' ' A' ' 12' ' ' THR . 4.4 tt0 -178.77 125.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.239 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 11' ' ' GLN . 2.3 p -159.98 167.61 27.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.419 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.82 118.87 4.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.113 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.68 -97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.217 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.498 ' CG2' ' N ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -175.23 -89.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.627 1.204 . . . . 0.0 110.39 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.498 ' N ' ' CG2' ' A' ' 15' ' ' THR . 6.8 tp10 -54.87 162.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 m -106.08 74.6 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.015 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.5 t -62.0 -31.78 52.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.47 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.66 -27.11 10.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 109.235 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.9 -42.22 40.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.093 . . . . 0.0 110.276 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.449 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 1.7 mp -65.19 -53.33 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 19' ' ' ALA . 4.4 tp -59.89 -40.74 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.468 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.53 -54.27 48.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.587 1.179 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -22.17 66.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 160' ' ' VAL . 4.3 mm-40 -77.77 -50.06 13.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.474 ' CZ ' HD12 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -60.12 -13.76 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.9 -172.21 15.72 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.4 ' CB ' HG22 ' A' ' 30' ' ' VAL . 2.4 m120 47.24 -172.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.09 -6.52 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 1.3 m -52.48 99.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.468 HG21 ' CG ' ' A' ' 23' ' ' ARG . 66.6 t -156.46 83.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.546 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 36.7 p -115.96 99.92 7.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.52 ' CD1' ' CB ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -102.09 166.48 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.742 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -69.32 -8.59 47.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.52 ' CB ' ' CD1' ' A' ' 33' ' ' LEU . 8.3 t70 -39.75 -30.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' A' ' 34' ' ' HIS . 10.6 m -86.15 52.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.3 t -64.76 -11.25 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.023 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -5.48 32.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.95 -171.6 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.386 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -101.46 -174.76 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 71' ' ' SER . 3.7 m -78.58 -12.18 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 t -58.5 -28.09 65.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.408 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.545 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -58.41 -52.35 65.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.689 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.7 pp -74.06 -45.43 49.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.542 ' N ' ' CD1' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -46.44 -29.66 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.265 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.536 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 98.2 m-20 -65.94 -45.46 81.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.633 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.13 145.85 26.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.426 1.079 . . . . 0.0 110.99 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.664 ' N ' HE21 ' A' ' 48' ' ' GLN . 0.0 OUTLIER -108.27 28.28 8.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.225 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.598 ' CE1' ' HG2' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -138.34 111.99 8.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.579 HD21 ' CE1' ' A' ' 7' ' ' PHE . 13.6 mt -148.68 165.9 29.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 109.394 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.474 HD12 ' CZ ' ' A' ' 26' ' ' PHE . 2.8 mp -122.0 145.69 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.425 ' N ' HG21 ' A' ' 51' ' ' ILE . 3.7 mt -124.16 145.96 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.24 -54.22 0.55 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.429 1.081 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 m -149.07 159.09 38.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -62.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.99 -50.17 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.42 1.075 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 179.93 166.03 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 108.052 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -74.43 105.41 5.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.0 tt -76.35 157.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.19 -79.74 0.89 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -160.09 103.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.546 0.791 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.75 139.86 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.02 166.26 23.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -133.34 159.74 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -90.63 157.15 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -126.75 122.02 33.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 108.003 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 180.0 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.345 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 131.59 167.42 11.89 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.421 ' CD2' ' CE2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -152.54 -46.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 0.817 . . . . 0.0 109.277 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.421 ' CE2' ' CD2' ' A' ' 69' ' ' LEU . 71.5 m-85 -157.67 -168.82 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 1.062 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.473 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 10.9 t -81.32 52.71 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.955 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' N ' HG12 ' A' ' 41' ' ' VAL . 3.1 tt0 -105.5 144.15 32.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.434 ' C ' ' N ' ' A' ' 75' ' ' ASP . 1.7 pt? -53.4 -26.43 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -45.41 -25.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.456 ' CB ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -95.08 -53.78 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.617 HG13 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -47.88 174.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.373 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.06 70.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.644 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 5.4 m-30 -65.21 122.28 16.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -140.89 79.25 1.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.412 ' HA2' ' N ' ' A' ' 114' ' ' GLY . . . 108.46 59.38 0.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.411 1.069 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.644 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -134.58 172.82 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.552 ' C ' ' CD1' ' A' ' 82' ' ' LEU . 0.4 OUTLIER -101.4 135.08 43.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 3.5 t -136.85 132.96 48.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.443 ' CB ' HG12 ' A' ' 51' ' ' ILE . . . -101.78 147.63 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -115.65 119.77 37.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 159' ' ' TRP . 76.8 t80 -56.79 125.52 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -37.91 136.67 0.85 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.416 1.073 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 t -173.07 128.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.05 -112.52 2.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.59 87.28 6.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.79 . . . . 0.0 109.344 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -107.83 4.85 25.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 30.4 mm -96.59 -64.28 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.057 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.45 109.65 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -154.78 93.55 1.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.6 130.25 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -147.06 98.6 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.224 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -81.52 104.71 12.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -178.96 102.33 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.81 146.46 27.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 0.0 110.21 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.98 113.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.94 112.02 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER -159.68 -54.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.412 ' N ' ' CG2' ' A' ' 102' ' ' ILE . . . 63.2 137.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.569 1.168 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.1 mm -117.58 -62.59 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.1 113.65 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -59.15 107.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -124.92 -91.19 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -74.65 151.5 39.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.6 1.188 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.541 ' CG2' ' HE2' ' A' ' 81' ' ' LYS . 1.8 mp -51.76 -40.88 28.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.461 ' HB3' ' CG2' ' A' ' 116' ' ' THR . 0.0 OUTLIER -53.21 -57.06 11.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.014 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -81.16 -2.52 48.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 110.245 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 108' ' ' LYS . 1.1 ttt85 -75.2 -48.85 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.19 126.51 0.95 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.362 1.039 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 128.22 -144.98 15.7 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.16 146.5 45.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.608 0.828 . . . . 0.0 109.286 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.461 ' CG2' ' HB3' ' A' ' 110' ' ' SER . 12.5 p -120.54 122.51 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.656 ' CG1' ' CE1' ' A' ' 167' ' ' PHE . 9.3 p -100.05 129.68 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -168.34 -158.6 12.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.05 96.65 7.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -176.2 -67.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.155 . . . . 0.0 108.014 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.5 m -41.93 -55.53 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.07 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.4 t -39.64 133.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.52 -64.11 1.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 131.36 -65.9 0.59 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.529 ' CE1' ' O ' ' A' ' 126' ' ' ASP . 12.3 t80 -47.89 138.46 8.77 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 0.773 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.529 ' O ' ' CE1' ' A' ' 125' ' ' TYR . 0.2 OUTLIER -112.59 167.34 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.0 171.07 7.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 62.75 150.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -115.03 173.6 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 28.6 t -99.85 -62.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.53 139.49 53.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -102.29 -78.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.57 129.37 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.78 85.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 172.15 147.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -83.87 59.28 4.97 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -138.39 173.79 11.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.64 116.71 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 15.4 m -152.51 179.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 170.86 136.26 2.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -105.16 174.31 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -132.69 153.26 51.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.93 166.38 10.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.41 99.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -56.74 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -45.7 138.44 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.25 155.01 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.398 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -137.59 144.78 42.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.632 1.207 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.63 140.78 21.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.435 ' HD2' ' N ' ' A' ' 151' ' ' LEU . 7.7 t70 -163.18 145.65 10.2 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.435 ' N ' ' HD2' ' A' ' 150' ' ' ASP . 3.3 tp -48.14 150.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 17.8 m -133.49 128.41 35.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.73 -50.95 70.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.426 ' HB3' ' CG ' ' A' ' 157' ' ' LYS . 28.0 m-20 -85.43 80.9 8.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -50.13 27.61 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.618 1.199 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.51 ' O ' ' CG2' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.84 -40.93 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 156' ' ' ILE . 4.4 mttm -56.58 -32.09 64.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 159' ' ' TRP . 0.5 OUTLIER -76.84 -71.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.575 ' CZ2' ' HA ' ' A' ' 86' ' ' PHE . 27.9 t90 -42.16 -56.7 2.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 108.031 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 156' ' ' ILE . 85.4 t -50.46 -52.1 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -54.03 -31.34 51.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -72.76 -47.97 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.563 HD13 ' CH2' ' A' ' 159' ' ' TRP . 0.7 OUTLIER -59.23 -54.67 44.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 168' ' ' GLY . 0.0 OUTLIER -63.97 -34.33 77.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.37 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.9 OUTLIER -53.03 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -52.62 -59.14 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 0.0 110.25 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.656 ' CE1' ' CG1' ' A' ' 117' ' ' VAL . 15.1 m-30 -46.56 -23.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . 138.56 89.41 0.2 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 168' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.224 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.28 125.71 44.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.423 ' N ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -173.07 65.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 mp -73.86 152.82 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.573 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -143.76 178.85 21.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.56 115.79 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 0.776 . . . . 0.0 109.231 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 6.7 m-85 -124.06 113.58 18.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.59 ' OH ' ' CE1' ' A' ' 34' ' ' HIS . 0.6 OUTLIER -122.75 179.93 4.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 111.089 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 10' ' ' THR . . . -86.19 -40.57 7.4 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.558 1.162 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 9' ' ' GLY . 2.3 p -159.82 155.49 25.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.405 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.544 ' HB2' ' CD2' ' A' ' 8' ' ' TYR . 1.2 tp60 -178.33 -178.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.2 m -145.89 -101.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 168.66 -157.99 30.41 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 15' ' ' THR . 1.5 ttpt -152.19 -99.34 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 0.715 . . . . 0.0 109.256 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.451 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 10.6 t -59.01 -153.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' N ' ' OG1' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.79 -48.75 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.423 1.077 . . . . 0.0 110.284 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.469 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -179.88 106.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -31.82 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' O ' ' CG2' ' A' ' 22' ' ' ILE . . . -53.62 -50.03 66.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 109.233 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.34 -30.28 71.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -65.09 -56.26 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.157 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 7.1 tp -54.46 -44.43 67.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.163 . . . . 0.0 109.388 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.589 HH21 ' CD2' ' A' ' 33' ' ' LEU . 74.7 mtt180 -52.81 -50.52 63.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -56.44 -38.55 71.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.593 ' OE1' ' HE3' ' A' ' 157' ' ' LYS . 33.4 mm-40 -63.36 -50.06 71.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 1.194 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 2.1 m-85 -62.42 -44.84 95.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . 86.87 -167.48 38.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.557 1.161 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 27' ' ' GLY . 7.5 m-20 46.86 -171.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 0.723 . . . . 0.0 109.24 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -90.38 -6.52 54.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 3.3 m -65.23 99.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.489 ' CG1' ' HG2' ' A' ' 23' ' ' ARG . 20.9 m -156.27 81.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.573 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 34.9 p -118.2 100.14 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.355 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.589 ' CD2' HH21 ' A' ' 23' ' ' ARG . 0.2 OUTLIER -107.29 161.22 14.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.59 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -51.25 -21.82 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.691 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -39.22 -30.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.541 1.151 . . . . 0.0 109.23 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 34' ' ' HIS . 10.9 m -78.37 55.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.0 t -74.13 -3.03 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.052 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -14.08 62.17 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.54 -171.64 1.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -104.82 173.31 6.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.236 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.469 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 7.5 m -53.73 -20.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.404 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 43' ' ' ASP . 13.2 t -53.64 -30.25 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.599 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -49.49 -49.24 46.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 0.7 OUTLIER -76.26 -38.94 55.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -46.16 -29.14 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.479 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 99.4 m-20 -78.12 -45.94 22.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.63 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -95.17 120.73 35.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.708 ' N ' HE21 ' A' ' 48' ' ' GLN . 0.0 OUTLIER -93.95 36.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.61 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -145.37 113.05 6.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.577 HD22 ' CD1' ' A' ' 7' ' ' PHE . 69.1 mt -150.74 164.26 36.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.868 HG21 HD11 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -118.13 159.51 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.476 ' CG2' ' O ' ' A' ' 7' ' ' PHE . 1.4 pt -147.03 138.73 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.47 -74.41 1.13 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.12 . . . . 0.0 111.051 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 m -167.29 150.55 6.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -88.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.1 m -138.42 -56.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.334 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.485 ' CG ' ' O ' ' A' ' 57' ' ' TRP . 19.4 p-90 -176.02 61.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -125.5 135.62 52.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -133.96 146.26 31.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.262 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.44 163.8 36.59 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.437 1.086 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.88 -59.5 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.244 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -60.97 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.35 163.16 32.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.485 ' O ' ' HE3' ' A' ' 108' ' ' LYS . 5.8 t -166.29 136.81 3.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.013 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -147.85 165.89 29.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -174.86 132.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.059 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -71.39 148.55 46.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.89 -167.89 33.43 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.427 1.079 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.67 85.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.787 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -138.79 178.1 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.068 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.467 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 9.4 t -107.59 45.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.019 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.18 -173.25 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.197 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -53.95 -26.32 24.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.419 ' N ' HD23 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -45.58 -26.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.415 ' N ' ' C ' ' A' ' 73' ' ' LEU . 4.1 m-20 -99.62 -33.87 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.1 t -75.24 138.14 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.414 1.071 . . . . 0.0 109.348 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.03 51.16 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.621 ' CD2' ' HG3' ' A' ' 81' ' ' LYS . 1.1 m-30 -50.69 97.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.643 ' HA ' ' HA2' ' A' ' 113' ' ' GLY . 1.7 m-80 -133.82 60.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . 137.04 58.46 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.621 ' HG3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -142.04 168.37 19.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.949 HD12 ' CE1' ' A' ' 167' ' ' PHE . 0.2 OUTLIER -97.99 129.11 44.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -137.29 130.59 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.861 ' HA ' ' CG1' ' A' ' 117' ' ' VAL . . . -101.56 142.04 33.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 0.1 OUTLIER -121.58 144.82 48.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 1.146 ' CD2' ' CD1' ' A' ' 159' ' ' TRP . 5.8 t80 -91.0 -47.5 7.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.488 ' O ' ' CG2' ' A' ' 88' ' ' THR . . . -169.85 154.92 24.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.488 ' CG2' ' O ' ' A' ' 87' ' ' GLY . 26.1 p -156.92 -166.32 2.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 110.38 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.75 149.22 20.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.15 148.68 42.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 0.818 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 179.99 160.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.4 tt -41.33 -57.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.39 122.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -125.03 93.88 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 111.075 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.94 142.97 57.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -108.22 148.97 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 96' ' ' ASP . 12.6 t-20 75.6 160.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -77.16 168.39 20.15 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.29 125.64 27.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.1 t0 179.99 123.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.57 -51.23 21.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.374 1.046 . . . . 0.0 109.266 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.1 mp -78.88 125.79 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' ILE . . . 137.19 -90.15 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.565 1.166 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' GLY . 32.9 pt -40.53 147.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 0.8 . . . . 0.0 109.249 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.434 ' CD1' ' HD2' ' A' ' 112' ' ' ARG . 1.1 tm? -171.61 114.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -93.92 -149.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -143.13 42.08 1.53 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.485 ' HE3' ' O ' ' A' ' 64' ' ' SER . 1.2 mttt -158.71 166.46 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.2 mp -51.86 -32.11 14.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.62 1.2 . . . . 0.0 109.358 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 116' ' ' THR . 4.5 m -39.43 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.944 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -93.32 -44.18 8.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.434 ' HD2' ' CD1' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -58.91 -29.1 66.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.643 ' HA2' ' HA ' ' A' ' 79' ' ' ASN . . . -83.29 45.81 3.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.621 1.201 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.42 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 82.61 -112.48 3.52 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.46 146.61 51.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -117.81 122.03 42.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 110.401 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.861 ' CG1' ' HA ' ' A' ' 84' ' ' ALA . 5.1 p -103.62 176.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.59 ' O ' ' CD2' ' A' ' 119' ' ' TYR . . . 119.46 36.37 0.86 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 118' ' ' GLY . 2.2 m-85 -173.01 -168.3 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 0.723 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.42 ' CD1' ' N ' ' A' ' 120' ' ' TRP . 0.0 OUTLIER -154.85 -65.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.87 150.14 42.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.4 m -123.61 -69.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -126.41 112.31 15.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 54.31 -138.75 39.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.083 . . . . 0.0 111.016 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -120.54 142.05 49.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.592 0.819 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.02 115.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.395 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -74.43 138.53 43.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -87.72 158.26 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -125.66 152.59 45.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.4 m -146.66 163.28 36.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -145.38 124.57 12.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -152.62 136.72 16.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 tp -111.61 72.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.38 160.88 9.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.378 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -54.1 146.2 15.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 126.7 134.56 4.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.25 162.75 33.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 0.815 . . . . 0.0 109.301 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.479 ' CD2' ' O ' ' A' ' 138' ' ' PHE . 43.3 p90 -129.35 124.59 34.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 33.4 m -127.41 164.29 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 141.74 142.99 4.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.533 1.146 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 mt -103.05 113.58 27.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -116.94 132.12 56.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -173.28 132.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.568 1.168 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -102.76 103.7 13.94 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -80.4 -59.95 2.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.368 1.043 . . . . 0.0 110.235 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -44.67 155.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -129.49 166.33 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 109.382 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -126.44 172.35 10.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 t 179.96 139.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.104 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -162.22 -173.18 3.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.617 HD22 HH21 ' A' ' 155' ' ' ARG . 3.7 mp -130.84 -177.66 4.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 2.4 m -163.89 146.93 9.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -50.31 -60.59 2.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.3 60.77 3.2 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.133 . . . . 0.0 109.378 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.617 HH21 HD22 ' A' ' 151' ' ' LEU . 21.4 ttm180 -75.82 -45.79 34.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.392 1.057 . . . . 0.0 110.26 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.471 HG12 ' N ' ' A' ' 157' ' ' LYS . 0.2 OUTLIER -51.46 -41.99 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.593 ' HE3' ' OE1' ' A' ' 25' ' ' GLU . 12.5 mttp -68.45 -30.65 69.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.222 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -55.73 10.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.423 1.077 . . . . 0.0 109.952 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 1.146 ' CD1' ' CD2' ' A' ' 86' ' ' PHE . 38.9 t90 -63.26 -53.7 48.76 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 1.157 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 51.7 t -50.67 -50.01 23.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 157' ' ' LYS . . . -63.57 -31.42 72.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 166' ' ' GLU . 1.8 tt0 -58.62 -56.42 22.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.33 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.868 HD11 HG21 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -74.35 -54.68 7.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 1.194 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 21.1 mmmt -44.34 -59.49 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 39.9 m -55.28 -46.67 76.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.504 ' CD ' ' CG2' ' A' ' 117' ' ' VAL . 0.4 OUTLIER -54.93 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.949 ' CE1' HD12 ' A' ' 82' ' ' LEU . 15.2 m-85 -40.42 -31.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.394 1.059 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -77.29 -88.52 0.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 20.9 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.257 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -175.21 -57.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.506 ' HG2' ' CG ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -176.29 66.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.57 HD12 ' CE1' ' A' ' 26' ' ' PHE . 1.7 mp -73.61 150.07 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.556 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -139.5 -178.18 16.35 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.542 1.151 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -138.63 116.43 11.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.588 ' CD2' HD22 ' A' ' 44' ' ' LEU . 39.9 m-85 -132.48 118.59 19.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -129.85 179.93 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.21 -55.79 2.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.7 t -174.88 115.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.512 ' CD ' ' CD2' ' A' ' 8' ' ' TYR . 3.9 pt20 -139.6 -58.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 13' ' ' GLY . 3.7 m -159.4 170.8 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.46 ' N ' ' CG2' ' A' ' 12' ' ' THR . . . 155.03 94.18 0.1 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.9 pttt -123.39 -56.99 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.373 0.69 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -142.04 169.0 18.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.512 ' N ' ' CG2' ' A' ' 15' ' ' THR . 0.3 OUTLIER -79.5 139.66 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.492 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 4.4 m -179.93 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 19' ' ' ALA . 29.3 m -55.15 -47.78 76.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 109.382 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 23' ' ' ARG . . . -51.64 -28.1 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.29 -38.44 60.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.555 HG21 HD13 ' A' ' 156' ' ' ILE . 3.1 mp -71.13 -55.72 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.226 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.686 ' CD1' HG22 ' A' ' 160' ' ' VAL . 1.4 tp -58.61 -33.33 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.51 ' CD ' ' N ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -69.19 -56.92 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.067 . . . . 0.0 110.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 23' ' ' ARG . 4.5 t0 -70.02 -16.98 63.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 21' ' ' ILE . 16.3 tp10 -79.5 -49.86 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CE1' ' HD3' ' A' ' 164' ' ' LYS . 0.3 OUTLIER -46.79 -23.18 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 111.006 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.09 -45.58 1.55 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.388 1.055 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -95.49 -153.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.374 0.691 . . . . 0.0 109.346 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.479 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 79.0 m-20 -110.98 2.47 18.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 3' ' ' LYS . 1.8 m -62.47 99.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' CG1' ' O ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -156.92 89.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.605 1.191 . . . . 0.0 109.31 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.556 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 40.6 p -121.29 99.88 6.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.067 . . . . 0.0 110.42 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.512 ' CD1' ' CB ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -111.55 165.96 11.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.376 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.606 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -56.28 -20.96 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.681 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.512 ' CB ' ' CD1' ' A' ' 33' ' ' LEU . 4.6 t70 -39.12 -30.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 34' ' ' HIS . 15.1 m -85.03 49.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 t -58.13 -15.99 11.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -71.0 -5.63 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.42 -171.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -108.82 170.24 8.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 2.8 p -65.4 -11.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.466 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 4.9 p -57.43 -27.59 62.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.602 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -50.96 -53.8 29.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.588 HD22 ' CD2' ' A' ' 7' ' ' PHE . 3.1 pp -77.14 -34.76 56.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.225 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.466 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 57.9 t30 -47.45 -31.06 3.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -40.33 15.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.634 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -96.12 111.94 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.584 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.5 pt20 -86.58 40.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.584 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -147.85 113.02 5.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' A' ' 7' ' ' PHE . 2.8 mt -146.65 165.23 30.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.618 HG22 ' CZ2' ' A' ' 159' ' ' TRP . 1.2 mm -117.02 159.51 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.406 1.066 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.471 ' CG2' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -144.12 142.15 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.01 97.05 0.5 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.475 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -160.12 167.3 14.16 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 169.56 22.35 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.559 1.82 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.5 p -95.29 167.87 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -178.63 139.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 108.003 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 p30 174.57 163.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.402 1.064 . . . . 0.0 109.335 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.6 mp -142.68 -82.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.25 75.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -162.38 171.6 16.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.5 tp -131.11 90.4 2.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -168.57 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 m -51.19 142.49 12.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.408 1.068 . . . . 0.0 109.964 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -147.78 134.55 20.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.622 1.201 . . . . 0.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -135.7 154.7 51.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 107.903 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.04 138.24 43.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.63 -126.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.44 1.088 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.458 ' N ' ' HE2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -123.28 -49.78 1.92 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 0.777 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 t80 179.95 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.39 66.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.496 1.122 . . . . 0.0 109.946 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.458 ' HE2' ' N ' ' A' ' 69' ' ' LEU . 2.3 pt-20 -105.36 -175.98 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.475 ' CD1' ' CG2' ' A' ' 109' ' ' ILE . 2.6 pp -53.54 -27.11 24.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -69.29 -21.53 63.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -77.93 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.061 . . . . 0.0 109.28 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.6 HG22 ' CE1' ' A' ' 78' ' ' PHE . 3.3 m -62.98 141.15 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.8 57.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.6 ' CE1' HG22 ' A' ' 76' ' ' VAL . 1.0 OUTLIER -58.85 127.23 31.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 111.091 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.2 m-80 -139.56 155.38 47.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 36.72 32.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.587 ' HZ2' ' N ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -93.58 170.62 9.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 0.718 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.659 HD11 ' CE1' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -110.68 129.66 55.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.587 ' N ' ' HZ2' ' A' ' 81' ' ' LYS . 1.4 t -135.2 123.56 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.05 138.94 38.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.475 ' CZ ' ' O ' ' A' ' 54' ' ' CYS . 0.6 OUTLIER -113.92 145.19 41.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.731 ' CD1' ' CD1' ' A' ' 159' ' ' TRP . 6.8 t80 -103.1 69.42 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -168.21 -156.44 10.26 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.5 t -174.44 154.94 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.769 . . . . 0.0 110.355 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.54 173.2 29.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.24 162.01 15.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.54 169.29 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 tp -50.55 149.44 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.95 -133.85 0.08 OUTLIER Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.54 ' O ' ' CG ' ' A' ' 94' ' ' TYR . 28.6 p90 -38.15 117.45 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 171.16 124.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -146.77 142.95 28.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -169.13 158.5 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -123.55 147.42 47.29 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -163.66 170.81 16.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -111.1 -55.92 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.7 168.88 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.6 tp -171.19 -50.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -48.33 177.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.1 tp -170.28 -44.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.76 138.81 52.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.375 1.047 . . . . 0.0 109.188 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -164.81 -96.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.61 -84.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.383 1.052 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 14.1 mttt -117.81 -172.65 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.475 ' CG2' ' CD1' ' A' ' 73' ' ' LEU . 1.9 mp -51.97 -32.21 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.53 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.41 -42.09 9.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 11.3 ttp180 -58.56 -48.16 81.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -36.9 -55.42 1.41 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.92 -118.0 0.74 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -104.85 146.43 29.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -125.85 125.98 43.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.47 ' HB ' ' CG ' ' A' ' 166' ' ' GLU . 0.7 OUTLIER -96.73 144.41 10.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.34 58.47 0.1 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.369 1.043 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.517 ' CE1' ' OE1' ' A' ' 166' ' ' GLU . 0.8 OUTLIER -50.58 179.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 0.734 . . . . 0.0 111.006 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -85.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.52 171.88 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.4 m -136.12 109.8 8.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 146' ' ' ASP . 0.4 OUTLIER -160.16 116.06 2.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.214 -179.878 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -169.09 152.22 19.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.426 1.079 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.28 163.13 17.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 0.788 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -94.04 -57.28 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -62.17 115.96 4.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -95.67 89.46 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 0.0 109.354 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -175.37 124.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.1 p -73.41 -42.52 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.025 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -166.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -135.1 -53.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.34 173.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.482 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 1.1 mpt_? -85.07 154.21 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 134' ' ' ARG . 1.3 m-20 157.5 -173.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.01 -109.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.586 1.179 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.41 169.81 15.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -170.74 145.46 2.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 33.2 m -73.54 178.78 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 124.392 1.058 . . . . 0.0 109.33 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -162.0 -169.68 25.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.7 mt -130.64 176.29 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -159.68 168.36 26.19 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.577 1.173 . . . . 0.0 109.36 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.8 mt -132.8 177.86 7.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.57 97.45 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.24 -59.3 2.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.385 1.053 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.437 ' HB3' ' CB ' ' A' ' 123' ' ' ASP . 10.3 p-10 -40.54 122.8 1.7 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.373 1.046 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.5 129.23 24.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -49.48 114.29 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.06 -83.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -157.9 -174.04 4.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.46 -174.6 4.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 86.5 m -157.28 169.79 23.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.35 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -70.37 -13.46 62.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.455 ' HB2' ' CD ' ' A' ' 157' ' ' LYS . 3.4 p-10 -92.97 28.78 2.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.4 ttp-105 -75.88 -56.63 4.49 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.555 HD13 HG21 ' A' ' 21' ' ' ILE . 1.7 pp -59.17 -42.86 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 161' ' ' ALA . 3.8 pttt -62.71 -31.8 72.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.07 -56.86 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.731 ' CD1' ' CD1' ' A' ' 86' ' ' PHE . 51.7 t90 -55.96 -59.37 5.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 108.038 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.686 HG22 ' CD1' ' A' ' 22' ' ' ILE . 54.1 t -51.21 -35.46 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 157' ' ' LYS . . . -69.08 -31.65 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 166' ' ' GLU . 24.4 tt0 -69.04 -35.99 77.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.528 HD13 HG22 ' A' ' 51' ' ' ILE . 0.2 OUTLIER -76.32 -53.67 7.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.76 ' HA ' ' HZ1' ' A' ' 164' ' ' LYS . 0.1 OUTLIER -58.08 -41.03 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 33.3 m -62.19 -67.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.517 ' OE1' ' CE1' ' A' ' 119' ' ' TYR . 3.8 mm-40 -45.11 -55.95 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.659 ' CE1' HD11 ' A' ' 82' ' ' LEU . 22.2 m-30 -60.81 -23.07 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 169' ' ' LEU . . . 139.34 84.74 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.497 ' CD1' ' N ' ' A' ' 169' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.532 ' N ' ' CE2' ' A' ' 49' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.707 ' O ' ' C ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -159.25 168.56 26.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.707 ' C ' ' O ' ' A' ' 2' ' ' LYS . 12.5 ttmt 4.88 75.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.557 HD11 ' CE1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -74.18 146.42 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.569 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -145.75 -172.55 16.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.584 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.95 130.02 15.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 0.804 . . . . 0.0 109.251 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.659 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 11.2 m-85 -130.33 123.49 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -123.89 179.91 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.52 -178.16 51.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.0 t -136.2 110.1 8.19 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.541 0.789 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -179.99 -48.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.1 m -150.02 81.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.54 69.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.426 1.079 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.7 81.18 1.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 0.733 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 p -116.48 107.87 15.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 3.9 pt-20 -104.85 70.07 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.229 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.476 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 2.5 m -168.68 -41.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.2 m -55.34 -36.31 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.446 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -65.35 -27.5 68.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.93 -45.75 56.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 17' ' ' SER . 3.5 mp -59.84 -53.54 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.446 ' CG2' ' HA ' ' A' ' 19' ' ' ALA . 2.2 tp -54.68 -54.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.492 ' C ' ' CD ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -49.74 -49.92 46.32 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.419 1.075 . . . . 0.0 110.299 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -64.6 -25.59 68.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.678 ' HG3' ' HB ' ' A' ' 156' ' ' ILE . 4.5 mm-40 -77.01 -50.06 13.98 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CE1' HD11 ' A' ' 4' ' ' ILE . 1.1 m-85 -52.36 -20.22 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 -77.65 1.27 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.36 1.037 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.446 ' CB ' HG21 ' A' ' 30' ' ' VAL . 4.2 m-80 -43.58 165.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.475 ' O ' ' CG1' ' A' ' 31' ' ' VAL . 2.6 m-20 -75.61 -2.98 31.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.472 HG23 ' CD1' ' A' ' 4' ' ' ILE . 3.5 m -63.99 100.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -155.0 88.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.569 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 66.8 p -117.73 116.57 27.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.474 ' CB ' HD23 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -112.52 156.77 22.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.411 1.069 . . . . 0.0 109.328 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -79.51 2.99 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.632 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' HIS . 25.2 t70 -36.93 -33.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' HIS . 22.4 m -85.41 48.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.7 p -50.42 -20.77 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.907 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -6.14 31.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 110.371 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.16 -171.34 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.71 159.69 15.41 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 110.231 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.554 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 2.5 m -65.46 -11.67 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.195 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.8 t -53.59 -26.98 24.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.388 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -66.61 -53.61 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.659 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.7 pp -69.83 -23.23 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -75.66 -30.21 59.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 20.6 m-20 -67.1 -39.47 86.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.639 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.18 143.35 31.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -108.19 39.77 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -154.7 111.56 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.513 ' CD1' ' HB2' ' A' ' 44' ' ' LEU . 14.4 mt -147.78 165.54 30.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 3.3 mp -129.87 160.43 40.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.613 1.196 . . . . 0.0 109.311 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.9 mm -113.91 150.85 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.64 -66.34 0.9 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.79 150.37 36.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.92 42.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.446 1.761 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m -110.58 107.88 17.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -44.18 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -143.86 179.32 7.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.4 1.063 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -112.33 -45.69 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.2 150.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.74 131.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt -140.96 -61.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -164.3 85.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.386 1.054 . . . . 0.0 110.254 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -150.54 140.98 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.82 -62.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -80.7 144.45 32.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.006 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.98 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.243 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.61 116.11 1.51 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.373 1.046 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.58 123.43 43.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -127.67 -76.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.461 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 3.0 t -170.47 72.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.046 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.18 116.14 31.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.555 HD11 HD12 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -51.31 -25.73 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.597 ' HA ' HD13 ' A' ' 109' ' ' ILE . 0.4 OUTLIER -61.55 -20.33 63.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 76' ' ' VAL . 5.5 m-20 -78.39 -65.34 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.614 HG23 ' CE1' ' A' ' 78' ' ' PHE . 10.5 m -44.14 166.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -101.79 52.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.358 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.614 ' CE1' HG23 ' A' ' 76' ' ' VAL . 1.8 m-85 -47.54 131.52 14.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' GLY . 1.3 m-80 -139.61 150.13 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 79' ' ' ASN . . . 37.04 46.11 1.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.865 ' HZ1' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.08 172.69 7.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.722 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.543 HD13 ' CZ ' ' A' ' 167' ' ' PHE . 1.1 pp -114.88 133.76 55.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.865 HG22 ' HZ1' ' A' ' 81' ' ' LYS . 9.5 m -134.85 121.58 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -102.11 161.2 13.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.67 125.34 41.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.421 ' HA ' ' CZ2' ' A' ' 159' ' ' TRP . 1.6 t80 -39.7 159.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -56.27 107.14 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.599 1.187 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.1 t -158.99 162.14 36.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 0.756 . . . . 0.0 110.341 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -98.36 114.64 5.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.42 1.075 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -147.98 -52.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 0.71 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -123.67 171.68 9.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.9 tt -165.99 124.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.01 147.52 8.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -82.47 -55.84 4.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.589 0.817 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 77.4 -63.35 0.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.89 170.33 19.63 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.607 1.192 . . . . 0.0 109.291 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.11 -49.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 1.065 . . . . 0.0 109.212 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.32 117.88 28.6 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -131.68 175.16 9.42 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.62 1.2 . . . . 0.0 110.243 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -166.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.22 -74.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.3 pt -40.57 123.28 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -137.53 -135.03 3.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -124.78 -151.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.335 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.515 ' N ' ' CG2' ' A' ' 104' ' ' ILE . 0.5 OUTLIER -69.35 65.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.527 ' CA ' ' HB3' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -36.73 130.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.695 ' HG3' HH21 ' A' ' 112' ' ' ARG . 35.9 mt-10 -118.59 -83.04 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 13.4 mttt -52.17 106.28 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.597 HD13 ' HA ' ' A' ' 74' ' ' ASP . 54.3 mt -48.82 -32.02 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.0 m -40.23 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.34 -48.09 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.695 HH21 ' HG3' ' A' ' 107' ' ' GLU . 3.9 mmm-85 -58.78 -21.4 55.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.477 ' O ' ' HE3' ' A' ' 81' ' ' LYS . . . -94.67 -25.96 14.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.407 1.067 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.37 -126.15 1.57 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.82 146.52 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 12.6 t -130.41 133.11 46.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.415 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 166' ' ' GLU . 9.3 m -120.74 141.39 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 173.72 79.79 0.05 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.568 1.167 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -103.35 -175.81 2.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 111.066 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -120.58 -69.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.03 94.9 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.96 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.9 t -100.87 165.56 11.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.453 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -168.5 95.55 0.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 56.36 -144.67 36.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.426 1.079 . . . . 0.0 111.074 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -144.32 61.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -44.16 -44.71 7.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -59.46 156.51 12.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -136.87 167.4 21.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -45.77 132.4 8.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.2 m -60.83 164.51 4.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -67.65 174.11 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.185 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -104.24 157.56 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.61 151.57 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.375 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -48.52 118.37 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -41.79 158.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.217 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 142.35 -138.7 8.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.417 1.073 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -78.58 140.43 38.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . 0.492 ' O ' ' CG1' ' A' ' 139' ' ' VAL . 18.6 p90 -72.65 125.94 28.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 138' ' ' PHE . 26.9 m -157.32 164.57 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 111.3 114.28 3.45 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -134.16 91.63 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.426 ' O ' ' CD1' ' A' ' 143' ' ' LEU . . . -158.04 133.0 8.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 142' ' ' ALA . 0.6 OUTLIER -164.97 139.01 4.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -111.78 57.59 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -79.07 -47.27 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 110.277 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -40.41 129.2 2.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -138.8 179.59 6.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -77.04 -179.87 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.12 -179.96 3.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.053 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -161.5 179.76 7.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.22 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 164.62 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 14.2 m -157.25 146.65 20.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.79 -19.47 61.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.612 1.195 . . . . 0.0 109.381 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . 0.466 ' HB3' ' CD ' ' A' ' 157' ' ' LYS . 6.2 m-20 -92.54 34.71 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.13 -32.09 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.24 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.678 ' HB ' ' HG3' ' A' ' 25' ' ' GLU . 8.7 pt -72.05 -39.66 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.466 ' CD ' ' HB3' ' A' ' 154' ' ' ASP . 0.0 OUTLIER -60.48 -35.58 76.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.128 . . . . 0.0 109.355 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 33.3 t -73.38 -65.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.574 ' CZ3' HD12 ' A' ' 163' ' ' LEU . 47.4 t90 -43.49 -53.01 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.653 ' CG2' ' HB3' ' A' ' 25' ' ' GLU . 65.9 t -51.57 -51.84 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 165' ' ' SER . . . -55.19 -31.98 61.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.43 68.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.574 HD12 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -63.25 -53.87 46.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.716 ' HA ' ' HZ1' ' A' ' 164' ' ' LYS . 0.1 OUTLIER -62.05 -29.45 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.241 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -59.93 -63.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.045 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.471 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -67.83 -55.84 11.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.559 ' CG ' ' O ' ' A' ' 163' ' ' LEU . 10.1 m-30 -37.11 -54.59 0.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 179.77 71.47 0.07 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.547 1.155 . . . . 0.0 110.994 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.396 0.703 . . . . 0.0 109.193 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.74 83.9 2.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' HG2' ' CG ' ' A' ' 47' ' ' TYR . 3.0 ttmt -169.43 51.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -72.96 165.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.63 ' HA3' ' O ' ' A' ' 32' ' ' THR . . . -170.76 -153.09 8.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.453 ' O ' ' HA ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -149.01 126.04 11.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.274 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.669 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 13.7 m-85 -128.25 112.51 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.596 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -146.6 110.07 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.6 -50.26 31.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.9 m -70.17 103.3 2.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 0.749 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.581 ' HB3' ' CD2' ' A' ' 8' ' ' TYR . 2.8 pp0? -162.25 138.02 7.45 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.2 m -43.98 -61.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.18 -81.93 0.3 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.44 1.087 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.59 -52.92 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 0.752 . . . . 0.0 109.331 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 p -71.8 99.95 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -125.07 90.89 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 8.0 t -142.1 -46.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -55.07 -39.65 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.72 74.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -37.85 87.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.521 ' CG2' HD12 ' A' ' 156' ' ' ILE . 2.0 mp -63.33 -58.35 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.439 HD12 HG22 ' A' ' 160' ' ' VAL . 7.0 tp -53.98 -48.75 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.473 ' CD ' ' HB ' ' A' ' 31' ' ' VAL . 43.5 mtm180 -54.02 -41.97 68.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -30.06 63.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.517 ' HB3' ' CG2' ' A' ' 160' ' ' VAL . 3.4 mm-40 -66.87 -51.29 57.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.768 ' CE2' ' CE ' ' A' ' 164' ' ' LYS . 1.3 m-85 -44.62 -32.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.76 70.83 0.86 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.456 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER 171.55 162.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -62.47 -13.98 36.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 28' ' ' ASN . 16.8 m -70.32 97.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.473 ' HB ' ' CD ' ' A' ' 23' ' ' ARG . 17.2 m -157.22 80.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.63 ' O ' ' HA3' ' A' ' 5' ' ' GLY . 37.2 p -123.2 95.85 4.77 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.512 1.133 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -113.84 174.22 6.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 35' ' ' ASP . 17.5 p-80 -38.24 -30.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.584 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' A' ' 34' ' ' HIS . 3.9 t70 -33.34 -39.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 34' ' ' HIS . 33.3 m -80.85 52.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.0 p -73.2 -21.39 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.06 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -30.88 67.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.47 131.69 36.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -54.58 175.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.503 HG21 ' CG ' ' A' ' 44' ' ' LEU . 4.4 p -61.0 -13.83 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.428 ' O ' ' HB3' ' A' ' 45' ' ' ASN . 6.4 t -55.37 -25.81 37.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.66 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -61.03 -55.9 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.669 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 3.1 pp -69.04 -28.22 66.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 42' ' ' THR . 13.2 t30 -56.15 -40.49 73.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.587 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -75.83 -31.37 59.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.66 ' CD2' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -117.11 71.18 0.79 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.549 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.14 62.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.549 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 1.0 OUTLIER -158.27 105.37 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.546 HD11 ' CD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -158.47 165.36 34.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.434 ' CG1' ' HB2' ' A' ' 84' ' ' ALA . 2.4 mt -98.39 159.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.7 pp -146.29 153.84 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.68 78.54 0.36 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 93.0 m -146.55 155.99 49.07 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.462 ' CB ' ' HB2' ' A' ' 58' ' ' ASN . 18.2 Cg_endo -75.02 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.536 1.809 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.525 HG23 ' CD1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -126.88 -40.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.459 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.525 ' CD1' HG23 ' A' ' 56' ' ' THR . 1.8 p-90 -130.07 17.39 5.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 108.078 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 55' ' ' PRO . 2.9 t-20 -39.66 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 58' ' ' ASN . 4.0 tp -38.07 143.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.7 178.08 15.24 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.516 1.135 . . . . 0.0 111.068 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -148.05 58.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.53 158.58 19.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.88 159.63 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.228 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.3 p -117.25 172.24 7.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -62.84 170.57 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -114.02 -60.02 1.94 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.564 1.165 . . . . 0.0 107.997 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -98.78 160.37 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.59 -71.88 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.57 1.169 . . . . 0.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.84 171.45 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.359 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 14.9 p90 -109.35 68.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 t -176.77 38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.37 129.19 52.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 75' ' ' ASP . 1.1 pp -51.94 -25.04 7.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.508 ' HA ' ' CD1' ' A' ' 109' ' ' ILE . 3.2 t0 -50.67 -21.11 1.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -76.87 -62.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.233 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.626 HG21 ' CE1' ' A' ' 78' ' ' PHE . 31.2 m -57.92 147.07 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 78' ' ' PHE . 6.9 m-20 -88.5 49.87 1.87 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.633 1.208 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.626 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.6 m-30 -35.92 113.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.11 128.68 30.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.416 ' CA ' ' HA3' ' A' ' 114' ' ' GLY . . . 67.63 9.35 55.44 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.618 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -77.6 176.1 9.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.582 0.813 . . . . 0.0 109.261 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.706 HD11 ' CE1' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -112.9 131.92 55.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.518 HG11 ' CD ' ' A' ' 81' ' ' LYS . 12.1 m -138.99 129.11 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.434 ' HB2' ' CG1' ' A' ' 51' ' ' ILE . . . -98.86 157.25 16.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -120.46 132.46 55.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.563 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -50.96 155.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.39 51.35 0.77 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.575 1.172 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.1 m -157.68 130.29 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.95 -142.17 15.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.06 165.44 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -61.33 148.82 40.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.484 HG22 ' N ' ' A' ' 93' ' ' GLY . 0.0 OUTLIER -154.92 -43.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.484 ' N ' HG22 ' A' ' 92' ' ' ILE . . . -51.16 153.09 4.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -97.4 167.57 10.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -172.94 161.15 4.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -136.65 87.45 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 179.38 141.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -161.36 118.32 2.24 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.65 159.47 21.29 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.67 41.15 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.88 135.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 pp -92.05 130.55 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.86 73.65 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.2 mt -141.75 118.16 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.477 HD22 ' CD ' ' A' ' 112' ' ' ARG . 2.1 mt -73.9 131.27 41.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.62 -173.67 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.259 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.51 88.56 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 110.236 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.43 ' CB ' ' HG2' ' A' ' 111' ' ' GLN . 0.2 OUTLIER 179.82 153.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.539 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 3.2 mp -71.13 -31.62 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 m -77.34 2.32 16.19 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.464 1.103 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.43 ' HG2' ' CB ' ' A' ' 108' ' ' LYS . 29.2 mm-40 -94.96 -63.16 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 113' ' ' GLY . 6.2 mtm105 -114.26 4.57 15.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.539 ' CA ' ' O ' ' A' ' 109' ' ' ILE . . . -26.54 -50.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.416 ' HA3' ' CA ' ' A' ' 80' ' ' GLY . . . 132.84 -101.73 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.46 145.35 39.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.793 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 2.0 t -143.76 136.53 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.591 HG13 ' CD1' ' A' ' 167' ' ' PHE . 1.5 m -115.92 128.44 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 119.61 61.36 0.26 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 120' ' ' TRP . 42.2 p90 -89.74 -47.83 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.608 ' N ' ' CD1' ' A' ' 119' ' ' TYR . 7.4 m0 -130.88 176.41 8.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 107.994 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.2 t -125.84 -51.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p -136.47 104.56 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -103.99 148.66 25.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -121.85 -163.58 11.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -76.75 144.1 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.06 155.93 37.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.68 130.34 43.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.365 1.041 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -155.33 155.23 33.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.22 132.85 55.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.238 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -175.67 142.2 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.951 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -161.52 131.23 4.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.8 128.43 34.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -168.85 144.38 3.38 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 -76.73 -78.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -124.94 141.68 51.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.228 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.402 ' O ' ' NZ ' ' A' ' 137' ' ' LYS . . . 158.05 -149.76 20.29 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.475 1.109 . . . . 0.0 111.065 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' A' ' 136' ' ' GLY . 0.2 OUTLIER -139.24 173.89 11.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.251 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -68.4 172.32 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 12.4 p -156.19 151.8 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -59.62 -157.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.583 1.177 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.61 179.15 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -126.77 159.26 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 3.6 mt -54.91 169.73 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.419 ' CG ' ' OD2' ' A' ' 146' ' ' ASP . 8.8 t0 -90.32 121.72 32.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 146' ' ' ASP . 0.0 OUTLIER -79.25 -42.05 26.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.261 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 145' ' ' GLU . 0.5 OUTLIER -38.32 134.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -112.82 166.39 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.405 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.15 176.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.9 -178.6 3.72 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -111.6 -178.34 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.34 175.37 5.54 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.429 1.081 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 4.7 m -146.71 147.68 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 110.464 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -67.6 -34.79 77.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.361 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -87.91 45.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -48.83 15.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.354 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.521 HD12 ' CG2' ' A' ' 21' ' ' ILE . 6.0 pt -51.45 -54.53 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' LYS . . . . . 0.478 ' HA ' ' OE2' ' A' ' 25' ' ' GLU . 3.0 pttt -54.52 -35.94 63.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.33 -64.75 0.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.488 ' O ' ' CD2' ' A' ' 163' ' ' LEU . 23.0 t90 -47.18 -55.11 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.517 ' CG2' ' HB3' ' A' ' 25' ' ' GLU . 47.0 t -49.51 -57.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -50.5 -29.04 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' A' ' 166' ' ' GLU . 1.7 tt0 -70.06 -56.48 6.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.244 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.521 HD12 ' CE ' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -61.35 -57.24 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . 0.768 ' CE ' ' CE2' ' A' ' 26' ' ' PHE . 1.4 mmpt? -49.0 -56.38 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 168' ' ' GLY . 40.3 t -54.86 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.034 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 165' ' ' SER . 0.5 OUTLIER -31.74 -59.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' PHE . . . . . 0.706 ' CE1' HD11 ' A' ' 82' ' ' LEU . 8.2 m-85 -49.2 -47.25 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 165' ' ' SER . . . 143.71 42.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.42 1.075 . . . . 0.0 111.056 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 164' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.599 0.823 . . . . 0.0 109.174 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -174.92 70.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.155 . . . . 0.0 109.389 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.837 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -80.49 148.53 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.372 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.671 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -137.13 168.95 24.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -130.09 116.47 18.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.392 0.701 . . . . 0.0 109.318 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.096 ' CD2' HD23 ' A' ' 44' ' ' LEU . 8.0 m-85 -125.72 125.03 42.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -128.85 179.85 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.952 ' O ' HG22 ' A' ' 22' ' ' ILE . 7.2 p -55.34 -38.31 47.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.87 -32.35 31.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -72.27 -47.37 50.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.031 HG23 HD13 ' A' ' 156' ' ' ILE . 1.7 mp -58.89 -56.36 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.952 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.3 tp -55.75 -36.76 44.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.509 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -62.92 -44.69 95.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.35 -18.91 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.955 ' CB ' HG21 ' A' ' 160' ' ' VAL . 59.0 mm-40 -77.64 -49.74 13.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.837 ' CE1' HD13 ' A' ' 4' ' ' ILE . 2.3 m-85 -53.15 -19.05 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 1.088 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.35 -71.38 2.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.807 ' HB3' HG22 ' A' ' 30' ' ' VAL . 8.3 t-20 -59.54 -155.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -112.93 -7.74 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.807 HG22 ' HB3' ' A' ' 28' ' ' ASN . 0.5 OUTLIER -48.29 100.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.509 HG21 ' CG ' ' A' ' 23' ' ' ARG . 55.8 t -154.64 86.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.56 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 62.3 p -114.4 99.55 7.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.401 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.73 HD13 ' CG ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -96.17 166.25 11.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.586 ' CD2' ' C ' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -77.41 0.47 22.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.658 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.73 ' CG ' HD13 ' A' ' 33' ' ' LEU . 3.7 m-20 -38.79 -31.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' HIS . 13.8 p -86.35 47.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -54.31 -19.0 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.968 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -5.44 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.264 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.83 -171.52 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -101.8 161.85 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.177 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.637 HG22 HD11 ' A' ' 44' ' ' LEU . 11.3 p -65.25 -11.86 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.177 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.441 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 12.6 t -57.41 -26.99 61.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.555 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -55.09 -53.28 57.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.096 HD23 ' CD2' ' A' ' 7' ' ' PHE . 2.5 pp -75.89 -22.94 55.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.723 ' N ' HD12 ' A' ' 44' ' ' LEU . 58.8 t30 -64.07 -30.76 71.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.19 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 6.6 m-20 -70.16 -37.77 75.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.666 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.83 147.93 22.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.471 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -107.87 36.28 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.252 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.804 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -154.66 113.61 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.9 mm? -139.75 164.01 31.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.812 HG21 ' HH2' ' A' ' 159' ' ' TRP . 2.7 mp -121.43 138.91 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.794 HD12 ' CZ ' ' A' ' 85' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.197 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.972 HD13 ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -51.74 -27.26 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.89 -22.05 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.41 -51.48 5.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.86 HG21 HD11 ' A' ' 44' ' ' LEU . 86.3 t -40.41 153.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 109.295 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -84.61 50.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.972 ' CE2' HD13 ' A' ' 73' ' ' LEU . 2.2 m-30 -51.92 139.45 22.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -137.14 128.29 27.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 37.68 70.54 0.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.852 ' CD ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -129.85 170.91 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.251 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -102.51 134.41 45.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.573 1.17 . . . . 0.0 109.296 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.852 HG23 ' CD ' ' A' ' 81' ' ' LYS . 7.0 t -135.29 114.68 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.733 ' O ' HG23 ' A' ' 51' ' ' ILE . . . -102.15 123.21 45.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.794 ' CZ ' HD12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -97.07 154.98 17.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' A' ' 109' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.746 ' HB2' HG21 ' A' ' 116' ' ' THR . 99.6 p -48.23 -45.71 34.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -86.1 -18.8 31.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.421 ' CB ' ' HA ' ' A' ' 109' ' ' ILE . 0.4 OUTLIER -58.98 -56.6 20.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.233 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . 178.21 111.81 0.31 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.35 -163.13 27.54 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 150.39 51.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 0.805 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.746 HG21 ' HB2' ' A' ' 110' ' ' SER . 17.9 p -126.71 131.76 51.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.406 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.756 HG11 ' CB ' ' A' ' 166' ' ' GLU . 12.4 m -115.74 156.94 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -54.34 34.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 1.031 HD13 HG23 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -52.24 -45.03 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.501 ' HG2' ' CD ' ' A' ' 25' ' ' GLU . 15.5 mtpt -61.19 -30.96 70.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.24 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -70.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 110.085 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.901 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 30.1 t90 -42.99 -52.3 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 108.076 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.955 HG21 ' CB ' ' A' ' 25' ' ' GLU . 45.4 t -51.62 -51.73 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.299 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.42 63.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -67.03 -48.18 69.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.901 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.4 OUTLIER -63.03 -53.6 51.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.472 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -59.02 -31.26 68.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -68.27 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.955 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.756 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.1 OUTLIER -60.66 -56.16 24.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 1.251 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.6 m-30 -37.41 -58.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.508 ' HB3' HG11 ' A' ' 30' ' ' VAL . 5.0 mtpp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.668 ' N ' HG12 ' A' ' 30' ' ' VAL . 10.0 tttp -174.93 55.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -73.21 135.59 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.201 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 1.002 ' C ' HD13 ' A' ' 6' ' ' LEU . . . -139.1 166.47 25.43 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -114.6 116.72 29.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.589 0.817 . . . . 0.0 109.287 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.02 ' CD2' HD23 ' A' ' 44' ' ' LEU . 5.9 m-85 -119.15 114.71 22.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -123.81 179.91 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.076 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.16 . . . . 0.0 111.054 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.98 ' O ' HG22 ' A' ' 22' ' ' ILE . 11.9 m -55.35 -36.64 41.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.7 -31.23 25.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -47.53 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.777 HG21 HG21 ' A' ' 156' ' ' ILE . 2.8 mp -59.16 -56.38 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.98 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.2 tp -54.91 -39.55 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.726 ' CD ' HG11 ' A' ' 31' ' ' VAL . 16.0 ttp180 -59.72 -54.26 48.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 110.223 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.25 -18.31 64.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.903 ' HB3' HG21 ' A' ' 160' ' ' VAL . 1.2 mm-40 -77.9 -50.02 13.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 22' ' ' ILE . 3.1 m-85 -53.63 -53.42 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . 93.54 -73.39 1.23 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.578 1.173 . . . . 0.0 111.095 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.952 ' HB3' HG22 ' A' ' 30' ' ' VAL . 2.4 m-20 -38.64 152.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 0.718 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -48.04 -26.38 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 28' ' ' ASN . 4.5 m -48.26 101.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.726 HG11 ' CD ' ' A' ' 23' ' ' ARG . 73.1 t -153.65 81.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.853 ' C ' HD23 ' A' ' 33' ' ' LEU . 17.7 p -125.69 164.67 20.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.466 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.853 HD23 ' C ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -165.1 168.12 17.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.511 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 1.4 p-80 -63.06 -13.43 35.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HB2' HD12 ' A' ' 33' ' ' LEU . 6.8 t70 -39.97 -30.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.875 HG21 ' OD2' ' A' ' 43' ' ' ASP . 30.8 m -80.55 53.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -69.69 -7.45 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -71.08 -27.15 63.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.92 -171.61 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -105.09 -170.42 1.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 10.2 m -65.3 -11.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.179 . . . . 0.0 109.26 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.6 t -61.25 -28.17 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.354 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.875 ' OD2' HG21 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -55.16 -53.67 53.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.02 HD23 ' CD2' ' A' ' 7' ' ' PHE . 3.8 pp -74.82 -40.12 61.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.915 ' N ' HD12 ' A' ' 44' ' ' LEU . 59.9 t30 -47.41 -31.16 3.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.385 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.479 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -67.78 -42.65 81.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.646 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -98.29 126.42 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 4.3 pm0 -86.36 17.87 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.856 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -130.02 111.01 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 110.942 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.856 HD22 ' O ' ' A' ' 49' ' ' TYR . 4.1 mm? -138.12 157.63 45.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.735 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.7 mp -128.14 152.57 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.405 ' C ' ' N ' ' A' ' 74' ' ' ASP . 4.3 tt0 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.802 HD22 ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -44.77 -27.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.602 ' H ' HD13 ' A' ' 73' ' ' LEU . 2.5 t70 -47.82 -24.82 1.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.55 -57.84 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.404 HG21 HD11 ' A' ' 44' ' ' LEU . 84.8 t -48.5 143.41 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 2.1 m-20 -93.01 63.81 3.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.566 1.167 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.552 ' CZ ' HD13 ' A' ' 44' ' ' LEU . 2.2 m-30 -48.66 93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.076 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -95.09 104.51 16.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.37 66.07 2.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.484 ' CE ' ' HA ' ' A' ' 78' ' ' PHE . 8.2 mttm -135.99 162.86 31.68 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.528 0.781 . . . . 0.0 109.208 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.921 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -99.9 128.0 46.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -130.42 134.33 62.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.735 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -102.59 152.91 20.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -131.7 136.1 47.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.592 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 4.3 p90 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.63 HG12 HD23 ' A' ' 73' ' ' LEU . 1.9 mp . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.401 ' HB3' ' CG2' ' A' ' 116' ' ' THR . 2.0 m -59.45 -70.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -53.41 -19.99 4.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -49.33 60.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.66 129.42 1.04 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 129.91 -134.18 7.76 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 146.44 30.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.401 ' CG2' ' HB3' ' A' ' 110' ' ' SER . 0.0 OUTLIER -125.27 122.47 37.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.701 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 11.6 p -107.27 129.75 60.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ASP . . . . . 0.466 ' CB ' ' HD3' ' A' ' 157' ' ' LYS . 29.9 m-20 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -51.52 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.777 HG21 HG21 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -51.91 -40.33 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.375 1.047 . . . . 0.0 109.337 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.466 ' HD3' ' CB ' ' A' ' 154' ' ' ASP . 2.6 pttp -64.13 -35.17 79.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 161' ' ' ALA . 48.0 t -70.94 -61.21 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.649 ' CH2' HG21 ' A' ' 51' ' ' ILE . 24.1 t90 -51.8 -56.08 16.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.903 HG21 ' HB3' ' A' ' 25' ' ' GLU . 61.1 t -50.84 -38.17 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -67.95 -31.5 71.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.36 -55.09 11.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 159' ' ' TRP . 0.1 OUTLIER -63.64 -54.26 38.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.472 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -55.18 -33.12 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 2.3 t -63.47 -76.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.368 1.042 . . . . 0.0 110.094 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.14 -48.51 12.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.921 ' CE1' HD13 ' A' ' 82' ' ' LEU . 18.7 m-30 -61.33 -27.31 68.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 165' ' ' SER . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.759 ' HA ' HG12 ' A' ' 30' ' ' VAL . 5.7 tptt -176.97 62.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.63 1.206 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.781 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -76.75 150.35 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.993 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -139.94 173.43 22.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.153 . . . . 0.0 110.991 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -126.09 116.48 21.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.974 ' CD2' HD23 ' A' ' 44' ' ' LEU . 9.9 m-85 -128.25 116.51 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.586 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -123.34 179.87 4.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.923 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.946 ' O ' HG22 ' A' ' 22' ' ' ILE . 9.4 p -63.18 -34.42 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.458 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -54.28 -31.59 54.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.21 -45.77 54.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.693 ' CG2' HD13 ' A' ' 156' ' ' ILE . 2.6 mp -60.06 -54.15 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.946 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.6 tp -59.54 -34.22 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.756 ' HB2' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -63.03 -53.98 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -28.86 69.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.759 ' HB3' HG21 ' A' ' 160' ' ' VAL . 4.9 mm-40 -68.49 -49.67 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.781 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.6 OUTLIER -48.39 -22.41 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.63 -45.84 1.34 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.384 1.052 . . . . 0.0 111.052 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.542 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.7 m-20 -102.81 -171.92 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -91.7 -5.77 53.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.379 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.759 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -47.8 99.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.756 HG21 ' HB2' ' A' ' 23' ' ' ARG . 2.5 t -155.64 81.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.619 1.199 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.521 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 72.1 p -107.86 99.84 9.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.625 HD12 ' OD1' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -95.06 167.11 11.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.457 1.098 . . . . 0.0 109.199 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.526 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.38 -3.96 30.49 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.529 1.143 . . . . 0.0 109.629 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.625 ' OD1' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.04 -30.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.2 m -85.81 48.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.1 t -57.13 -17.19 9.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -5.55 32.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.26 -171.49 1.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -106.48 174.38 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 3.2 m -65.19 -12.01 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.447 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 5.9 t -54.62 -30.63 55.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.6 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 1.3 m-20 -56.03 -53.48 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.974 HD23 ' CD2' ' A' ' 7' ' ' PHE . 3.7 pp -77.01 -23.99 52.17 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.567 1.167 . . . . 0.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.624 ' N ' HD12 ' A' ' 44' ' ' LEU . 51.8 t30 -60.44 -31.05 70.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.51 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 5.4 m-20 -74.59 -44.2 51.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -105.37 113.18 26.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.941 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.451 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.72 3.84 10.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.19 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.482 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -106.48 112.99 26.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 110.956 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.625 HD23 ' HE2' ' A' ' 78' ' ' PHE . 2.1 mm? -134.11 164.68 26.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.192 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.993 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.1 mp -128.71 145.11 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.732 HG22 ' O ' ' A' ' 7' ' ' PHE . 2.7 pp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.384 1.052 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.782 HD12 HG21 ' A' ' 109' ' ' ILE . 1.7 pt? -51.31 -27.14 8.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.877 ' HA ' HD13 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -61.15 -21.19 63.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.43 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.29 -54.97 6.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.648 HG21 ' CE1' ' A' ' 78' ' ' PHE . 35.3 m -66.08 147.23 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.2 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.55 59.24 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.648 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.6 m-30 -51.85 137.51 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.3 m-80 -132.9 143.29 49.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 38.6 29.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.596 ' NZ ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -75.66 171.26 14.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 0.717 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.03 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -117.46 138.53 51.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.596 HG13 ' NZ ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -135.95 130.59 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.78 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.28 121.15 41.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 109.228 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -96.96 119.73 35.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.484 ' HA ' ' CE2' ' A' ' 159' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.877 HD13 ' HA ' ' A' ' 74' ' ' ASP . 3.4 mp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 m -39.82 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.604 1.19 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -92.51 -41.88 10.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.609 1.193 . . . . 0.0 110.228 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.425 ' NE ' ' HA ' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -58.47 -47.99 82.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -36.63 -48.63 1.3 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 179.83 -119.58 0.64 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.17 152.37 25.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.8 m -122.83 122.44 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.366 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 167' ' ' PHE . 14.5 p -93.96 131.14 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.916 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ASP . . . . . 0.442 ' OD1' ' CD ' ' A' ' 157' ' ' LYS . 9.3 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.82 -56.49 4.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.693 HD13 ' CG2' ' A' ' 21' ' ' ILE . 36.1 pt -69.37 -42.46 81.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.442 ' CD ' ' OD1' ' A' ' 154' ' ' ASP . 4.9 mtpt -57.41 -30.97 65.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.8 t -75.97 -71.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.868 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 39.5 t90 -42.08 -54.08 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.759 HG21 ' HB3' ' A' ' 25' ' ' GLU . 75.7 t -51.3 -51.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -54.99 -32.45 61.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.607 1.192 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.518 ' HG3' HG22 ' A' ' 117' ' ' VAL . 32.7 tp60 -69.3 -47.85 63.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.238 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.868 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.7 OUTLIER -59.67 -53.77 54.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -36.64 75.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.462 ' HB2' HG23 ' A' ' 117' ' ' VAL . 5.9 tp10 -60.43 -57.52 12.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 1.03 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.7 m-30 -39.95 -46.38 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HE3' ' NZ ' ' A' ' 164' ' ' LYS . 1.5 mtpm? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.728 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -175.66 65.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.235 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.946 HD13 ' CE2' ' A' ' 26' ' ' PHE . 1.3 mp -75.63 149.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.64 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -138.83 -178.78 16.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.64 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -139.32 116.92 11.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.25 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.22 ' CE2' HD23 ' A' ' 44' ' ' LEU . 32.1 m-85 -132.12 121.69 24.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.64 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -129.05 179.89 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 111.052 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.43 1.081 . . . . 0.0 111.057 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.987 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.9 m -55.73 -35.15 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.59 -28.27 13.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.12 -46.48 28.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.963 HG21 HG21 ' A' ' 156' ' ' ILE . 2.7 mp -61.49 -56.42 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.987 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.1 tp -54.72 -43.89 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.515 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -56.22 -53.93 51.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -63.89 -23.73 67.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.882 ' CB ' HG21 ' A' ' 160' ' ' VAL . 51.4 mm-40 -77.54 -29.67 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.946 ' CE2' HD13 ' A' ' 4' ' ' ILE . 1.5 m-85 -75.17 0.48 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.88 47.05 9.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.389 1.055 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.691 ' HB3' HG22 ' A' ' 30' ' ' VAL . 20.2 m-20 -172.84 -174.2 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.596 0.821 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -101.87 -12.6 18.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -48.35 100.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG21 ' CG ' ' A' ' 23' ' ' ARG . 53.3 t -155.12 84.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 0.0 109.397 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.53 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 66.6 p -113.85 99.53 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.361 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.962 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -108.07 165.49 11.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.524 ' CD2' ' N ' ' A' ' 35' ' ' ASP . 0.1 OUTLIER -58.76 -16.62 17.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.695 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.962 ' HB2' HD13 ' A' ' 33' ' ' LEU . 7.8 t70 -39.02 -31.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 33' ' ' LEU . 6.4 m -83.78 50.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.419 1.075 . . . . 0.0 109.374 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -59.12 -15.19 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.092 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.66 -6.64 38.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.395 1.059 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.63 -171.45 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.372 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -109.89 177.18 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.578 ' CG2' HG13 ' A' ' 76' ' ' VAL . 2.2 p -65.29 -11.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.451 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 39.7 p -56.29 -29.07 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.58 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -52.51 -54.35 33.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.22 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.2 pp -77.68 -34.75 52.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.727 ' N ' HD12 ' A' ' 44' ' ' LEU . 42.8 t30 -47.47 -31.02 3.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.516 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 67.0 t0 -84.41 -35.28 23.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -102.29 110.4 22.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.974 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -84.92 47.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.239 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.578 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -155.83 113.46 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.906 HD11 ' HB2' ' A' ' 44' ' ' LEU . 3.3 mt -146.3 164.85 31.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.754 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 3.1 mt -117.0 145.85 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 7' ' ' PHE . 11.9 pt . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 74' ' ' ASP . 27.9 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.938 HD21 HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -46.1 -26.71 0.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.587 ' H ' HD13 ' A' ' 73' ' ' LEU . 21.4 t70 -53.13 -21.42 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.422 ' HB3' HG11 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -76.97 -55.01 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.696 HG21 ' CE1' ' A' ' 78' ' ' PHE . 32.4 m -70.5 154.16 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.86 65.55 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' A' ' 76' ' ' VAL . 2.3 m-30 -51.06 125.67 14.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -137.73 98.08 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 88.37 64.65 1.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.762 ' NZ ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -132.24 171.25 13.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 0.787 . . . . 0.0 109.23 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.992 ' O ' HD12 ' A' ' 82' ' ' LEU . 2.1 pp -101.45 126.25 48.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.762 HG13 ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -125.88 128.55 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.754 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -101.98 162.72 12.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.78 116.92 17.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.6 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.917 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.938 HD13 HD21 ' A' ' 73' ' ' LEU . 2.8 mp . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.16 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -92.31 -41.8 10.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -58.53 -47.93 82.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -36.63 -52.27 1.42 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.45 -118.24 0.74 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.18 151.06 29.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.1 m -108.9 147.35 32.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.31 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.775 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 8.1 p -134.54 135.72 53.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.165 . . . . 0.0 110.999 -179.884 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.04 -56.67 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.963 HG21 HG21 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -52.25 -46.63 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.243 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -64.0 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.206 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 -68.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.944 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.858 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 30.2 t90 -46.81 -53.93 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.882 HG21 ' CB ' ' A' ' 25' ' ' GLU . 48.2 t -51.35 -51.64 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -54.48 -31.8 56.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -47.37 57.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.336 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.858 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -61.04 -53.41 57.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.525 ' NZ ' ' HE3' ' A' ' 2' ' ' LYS . 5.4 mmmt -64.55 -29.78 70.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -57.95 -74.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.636 1.21 . . . . 0.0 109.979 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -53.65 -53.68 48.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.949 ' CZ ' HD13 ' A' ' 82' ' ' LEU . 15.7 m-30 -53.86 -22.7 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.44 ' HB3' HG11 ' A' ' 30' ' ' VAL . 9.3 mptt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.885 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -174.83 66.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.554 HD12 HG21 ' A' ' 30' ' ' VAL . 1.1 mp -74.24 147.55 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.97 ' C ' HD13 ' A' ' 6' ' ' LEU . . . -137.36 171.81 23.01 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.97 HD13 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -131.66 115.83 16.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.05 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.3 m-85 -124.5 122.54 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.721 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -127.96 179.81 5.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 O-C-N 124.446 1.092 . . . . 0.0 111.036 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 21.9 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 m -55.34 -31.7 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 22' ' ' ILE . . . -53.22 -49.68 66.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.645 1.215 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -34.34 78.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -60.1 -56.88 14.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 19' ' ' ALA . 7.0 tp -54.77 -45.08 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.798 HH21 ' CD2' ' A' ' 33' ' ' LEU . 78.5 mtt180 -50.12 -44.4 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.96 -40.07 75.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.795 ' CG ' HD12 ' A' ' 156' ' ' ILE . 0.2 OUTLIER -57.37 -33.95 68.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.353 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 1.9 m-85 -72.05 -3.43 22.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . 37.76 86.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.174 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.79 ' HB3' HG22 ' A' ' 30' ' ' VAL . 3.2 m-20 156.44 -171.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.791 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -99.77 -18.22 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.885 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -51.23 100.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 29' ' ' ASP . 26.8 m -154.71 81.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.571 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 47.0 p -115.68 99.48 7.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.818 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -97.21 166.4 11.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.721 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -67.63 -9.45 43.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.547 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.818 ' HB2' HD13 ' A' ' 33' ' ' LEU . 11.8 t70 -39.3 -30.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.401 1.063 . . . . 0.0 109.215 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.45 ' N ' ' C ' ' A' ' 34' ' ' HIS . 13.9 p -82.32 52.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.353 1.033 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -65.44 -10.62 35.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -5.61 33.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.271 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.59 -171.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.61 176.31 5.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.541 ' CG2' HG22 ' A' ' 76' ' ' VAL . 3.5 m -64.82 -12.23 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.413 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.452 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 6.2 t -56.39 -29.94 62.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.75 -53.39 58.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.407 1.067 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.05 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.7 pp -77.28 -23.14 51.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.412 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.59 ' N ' HD12 ' A' ' 44' ' ' LEU . 55.7 t30 -61.26 -32.03 71.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.1 -45.42 49.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.66 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -92.3 117.02 29.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 111.11 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.616 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 6.0 pm0 -85.25 33.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.852 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -141.42 112.18 7.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.852 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.7 mm? -141.08 161.22 38.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.389 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.69 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.8 mp -126.64 153.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.412 1.07 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 51' ' ' ILE . 3.9 mm . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 8' ' ' TYR . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -65.7 -27.29 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.2 -22.57 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -88.92 -57.37 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.63 HG21 HD11 ' A' ' 44' ' ' LEU . 48.5 t -40.44 144.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.99 54.69 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 1.002 ' CD2' HD13 ' A' ' 73' ' ' LEU . 1.7 m-30 -49.36 130.17 19.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -137.84 119.97 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.61 65.04 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.565 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -128.77 170.73 12.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.818 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -106.15 135.1 48.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.474 ' CG1' ' HE3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -136.28 134.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.926 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -105.69 135.13 47.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -115.75 115.07 25.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 159' ' ' TRP . 3.0 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 1.039 HG21 HD11 ' A' ' 73' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.42 ' OG ' HG21 ' A' ' 83' ' ' VAL . 11.5 m -72.15 -71.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.02 -18.76 5.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.231 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -76.21 -47.18 24.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.42 74.3 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 81' ' ' LYS . . . 159.78 167.07 19.88 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -106.06 146.38 30.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.387 0.698 . . . . 0.0 109.355 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -116.32 124.86 51.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.175 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.926 HG22 ' HA ' ' A' ' 84' ' ' ALA . 3.0 m -94.15 148.14 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.42 1.075 . . . . 0.0 110.984 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -75.8 -44.33 41.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.344 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.843 ' O ' HG23 ' A' ' 160' ' ' VAL . 3.4 pt -52.48 -40.36 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.225 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 8.0 mttt -61.83 -30.98 71.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 161' ' ' ALA . 5.6 t -68.64 -60.22 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 37.9 t90 -54.44 -55.33 29.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.002 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 156' ' ' ILE . 59.0 t -51.55 -36.96 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -68.09 -31.87 71.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -68.33 -54.93 14.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.831 ' HB3' HG21 ' A' ' 117' ' ' VAL . 0.1 OUTLIER -64.36 -54.25 35.85 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.572 1.17 . . . . 0.0 109.225 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.536 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -54.71 -32.75 60.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 2.4 t -64.31 -75.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.087 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.12 -54.72 12.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.744 ' CZ ' HD13 ' A' ' 82' ' ' LEU . 13.5 m-30 -49.34 -37.72 25.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.432 1.083 . . . . 0.0 111.018 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.787 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -176.16 69.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.607 1.192 . . . . 0.0 109.283 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.761 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.7 OUTLIER -80.16 148.13 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.877 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -137.64 175.3 21.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.575 HD13 HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -134.38 117.09 15.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.736 . . . . 0.0 109.254 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.14 ' CE2' HD23 ' A' ' 44' ' ' LEU . 9.8 m-85 -128.77 122.06 29.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -136.48 179.87 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.067 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.88 ' O ' HG22 ' A' ' 22' ' ' ILE . 13.1 p -55.29 -40.03 54.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -53.41 -30.57 40.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.54 -43.29 60.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.218 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.205 ' CG2' HD13 ' A' ' 156' ' ' ILE . 2.5 mp -63.29 -55.18 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.88 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.6 tp -59.12 -33.13 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.465 ' CB ' HG21 ' A' ' 31' ' ' VAL . 12.3 ttt-85 -65.11 -54.2 33.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -20.0 65.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.586 1.178 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 1.206 ' CG ' HD12 ' A' ' 156' ' ' ILE . 3.9 mm-40 -77.7 -49.35 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.761 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.7 OUTLIER -50.5 -20.93 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 111.003 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 -67.43 1.88 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.55 ' CB ' HG22 ' A' ' 30' ' ' VAL . 2.0 m120 -73.56 -172.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.44 -7.54 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.787 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -48.6 99.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 30' ' ' VAL . 17.0 t -156.4 84.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.566 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 72.8 p -114.72 99.22 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.972 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -112.9 163.05 15.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.598 1.186 . . . . 0.0 109.237 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -39.13 -30.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.566 1.167 . . . . 0.0 109.551 -179.836 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.972 ' HB2' HD13 ' A' ' 33' ' ' LEU . 7.6 t0 -39.21 -31.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 33' ' ' LEU . 16.9 m -82.01 52.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.3 t -63.78 -11.5 27.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.72 -6.25 35.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.74 126.92 37.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -169.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.511 HG23 HD21 ' A' ' 44' ' ' LEU . 7.6 p -65.61 -11.36 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.468 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 4.7 t -58.17 -26.54 62.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.606 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -55.82 -53.97 50.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.14 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.2 pp -76.35 -22.37 54.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 54.6 t30 -63.51 -30.44 71.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.235 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.468 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 12.3 m-20 -83.04 -40.69 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.59 115.75 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.482 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -85.77 43.63 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.993 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -154.39 112.67 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.993 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.0 mm? -139.43 165.54 26.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.877 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.1 mp -121.99 139.28 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.596 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 6.2 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.364 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' HG3' HD13 ' A' ' 73' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.814 HD22 ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -53.85 -26.35 24.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.219 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.618 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -72.04 -21.4 61.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.64 -59.53 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.699 HG21 ' CE1' ' A' ' 78' ' ' PHE . 15.2 m -45.28 168.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.72 59.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.699 ' CE1' HG21 ' A' ' 76' ' ' VAL . 2.3 m-30 -61.64 121.88 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.108 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -138.29 95.52 3.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 93.1 64.94 1.08 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.6 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -133.53 170.86 14.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.033 HD13 ' CE2' ' A' ' 167' ' ' PHE . 2.1 pp -102.54 132.0 48.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.502 HG13 ' CE ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -128.16 118.41 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.865 ' O ' HG23 ' A' ' 51' ' ' ILE . . . -101.71 113.86 27.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.467 ' CD2' HG13 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -97.23 138.1 35.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.055 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' ILE . 9.8 p90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.525 HG21 HD23 ' A' ' 73' ' ' LEU . 2.2 mp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' ILE . 74.6 m -38.04 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.951 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -94.64 -50.53 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.404 ' NE ' ' HA ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -58.08 -15.39 9.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -101.42 -20.98 12.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 165.18 -134.35 3.29 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.78 148.92 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.3 t -121.65 137.93 54.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.435 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.653 HG22 ' HA ' ' A' ' 84' ' ' ALA . 10.3 m -113.81 145.99 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -75.69 -35.34 60.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.361 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 1.206 HD12 ' CG ' ' A' ' 25' ' ' GLU . 1.3 pt -71.94 -37.45 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.566 ' HG2' ' OE2' ' A' ' 25' ' ' GLU . 17.0 mttt -67.75 -31.46 71.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.129 . . . . 0.0 109.207 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 13.6 t -77.18 -52.15 9.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.105 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.862 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 30.5 t90 -57.54 -56.45 21.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 108.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.878 HG21 ' HB3' ' A' ' 25' ' ' GLU . 35.7 t -50.53 -52.02 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -55.56 -31.14 61.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -71.8 -47.84 50.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.862 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -58.93 -54.61 45.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.454 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -64.3 -35.2 80.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.7 t -52.6 -78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -50.2 -60.22 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 1.033 ' CE2' HD13 ' A' ' 82' ' ' LEU . 16.2 m-30 -46.21 -23.75 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.374 1.046 . . . . 0.0 111.02 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mttt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.786 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -177.79 64.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.449 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -73.92 151.65 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.635 1.209 . . . . 0.0 109.36 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.886 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -141.41 -179.87 18.97 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -143.52 115.85 8.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.23 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.983 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.3 m-85 -125.09 119.7 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.551 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -121.91 179.96 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 O-C-N 124.551 1.157 . . . . 0.0 110.932 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.472 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 69.8 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 22' ' ' ILE . 95.5 t -55.29 -40.9 58.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.245 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.4 -41.48 60.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.22 -29.68 66.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.681 HG23 HD13 ' A' ' 156' ' ' ILE . 1.8 mp -69.52 -55.4 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.612 HD12 ' CG2' ' A' ' 160' ' ' VAL . 6.0 tp -54.91 -43.09 66.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.8 HH21 ' HG ' ' A' ' 33' ' ' LEU . 47.0 mtt180 -58.03 -53.8 54.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.391 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.77 -21.6 66.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 1.19 ' CG ' HD12 ' A' ' 156' ' ' ILE . 2.1 mm-40 -74.85 -48.03 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.249 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.449 ' CD1' HD13 ' A' ' 4' ' ' ILE . 1.4 m-85 -55.99 -16.8 5.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.1 -86.17 1.1 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.773 ' CB ' HG22 ' A' ' 30' ' ' VAL . 7.5 m-80 -42.41 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.801 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -71.57 -12.1 61.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 3' ' ' LYS . 2.4 m -49.55 100.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 29' ' ' ASP . 27.9 m -154.37 81.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.556 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 19.9 p -112.03 100.07 8.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.977 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -102.44 165.32 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.515 ' CD2' ' N ' ' A' ' 35' ' ' ASP . 0.1 OUTLIER -58.8 -16.73 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.603 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.977 ' HB2' HD13 ' A' ' 33' ' ' LEU . 26.2 t0 -39.44 -30.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.612 1.195 . . . . 0.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 36' ' ' VAL . 95.7 t -82.11 52.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.582 1.176 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 t -65.78 -10.13 34.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.085 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -5.56 32.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.05 135.13 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.46 -172.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.247 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.6 m -65.32 -11.8 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.3 t -54.46 -27.9 40.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.59 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -62.87 -53.13 58.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.983 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.4 pp -73.28 -22.58 60.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.621 ' N ' HD12 ' A' ' 44' ' ' LEU . 60.7 t30 -69.55 -30.86 68.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.527 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 79.5 m-20 -69.33 -38.93 78.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -100.34 121.0 40.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.45 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -88.51 37.15 0.81 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' HB3' ' CG ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -154.57 110.91 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD22 ' CD1' ' A' ' 7' ' ' PHE . 1.2 mp -144.32 164.93 29.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.136 HG21 ' CH2' ' A' ' 159' ' ' TRP . 1.4 mp -121.26 154.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.614 1.196 . . . . 0.0 109.348 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 7' ' ' PHE . 2.9 pp . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.796 HD22 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -55.02 -26.33 36.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.218 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.796 ' N ' HD22 ' A' ' 73' ' ' LEU . 5.9 t70 -52.15 -21.92 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.187 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -56.98 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.361 1.038 . . . . 0.0 109.269 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 44' ' ' LEU . 39.6 t -50.0 142.56 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.12 53.67 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.536 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 1.8 m-85 -49.96 132.36 22.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -140.63 146.99 38.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 39.72 48.37 3.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.536 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -117.35 171.65 7.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.277 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.8 pp -110.89 127.15 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.479 HG23 ' CD ' ' A' ' 81' ' ' LYS . 2.9 t -127.63 121.05 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.574 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -102.07 162.86 12.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.489 ' CD2' HD11 ' A' ' 52' ' ' ILE . 1.7 t80 -138.11 131.19 30.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 6.9 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.566 HG21 HD23 ' A' ' 73' ' ' LEU . 36.5 mm . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.61 -77.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -91.99 -43.45 9.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -58.64 -42.2 87.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -62.72 -35.09 91.43 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.429 1.081 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.14 -106.73 0.28 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.467 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -123.96 146.56 48.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 0.796 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -119.04 133.52 55.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.445 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.671 HG11 ' CB ' ' A' ' 166' ' ' GLU . 4.3 m -121.28 139.15 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.595 1.185 . . . . 0.0 111.012 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -32.43 59.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.581 1.176 . . . . 0.0 110.285 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 1.19 HD12 ' CG ' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -69.14 -38.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -31.04 70.85 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.1 m -72.45 -58.66 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 1.136 ' CH2' HG21 ' A' ' 51' ' ' ILE . 44.4 t90 -55.98 -52.74 63.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 1.003 HG21 ' HB3' ' A' ' 25' ' ' GLU . 45.5 t -51.1 -51.71 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.234 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.81 -32.07 67.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -66.49 -47.31 73.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.228 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.848 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -63.82 -53.66 47.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -58.03 -33.53 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.94 -69.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.671 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.6 OUTLIER -58.21 -57.45 12.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 110.323 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 1.277 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.9 m-30 -36.84 -49.47 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.749 ' HA ' HG12 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -176.52 68.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.46 HD12 ' HB ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -82.77 148.88 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.836 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -137.69 177.63 19.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.74 116.29 13.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.745 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.108 ' CE2' HD23 ' A' ' 44' ' ' LEU . 6.4 m-85 -128.43 120.54 27.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.746 ' CE2' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -121.79 173.23 7.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.453 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.674 ' O ' HG22 ' A' ' 22' ' ' ILE . 31.3 m -56.51 -46.63 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 109.4 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -56.83 -29.66 63.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -36.05 64.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.408 1.067 . . . . 0.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.9 mp -69.4 -56.39 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 18' ' ' VAL . 4.4 tp -55.25 -38.31 47.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.456 1.098 . . . . 0.0 109.203 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.864 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.72 -54.1 50.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.1 -19.6 64.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.946 ' HB3' HG21 ' A' ' 160' ' ' VAL . 3.1 mm-40 -76.38 -48.79 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CD2' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -56.54 -16.28 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.62 -80.54 1.37 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.547 ' CB ' HG22 ' A' ' 30' ' ' VAL . 14.6 m-20 -57.59 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 0.808 . . . . 0.0 109.349 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -94.04 -6.29 45.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -48.13 99.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.864 HG21 ' CG ' ' A' ' 23' ' ' ARG . 2.9 t -155.6 81.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.536 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 67.1 p -109.42 99.67 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.357 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.829 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -98.73 167.2 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.746 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -74.22 -5.75 43.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.656 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.829 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.0 m-20 -39.93 -30.23 0.08 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.638 1.211 . . . . 0.0 109.395 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.438 ' N ' ' C ' ' A' ' 34' ' ' HIS . 24.7 m -87.48 46.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -53.9 -19.57 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -5.47 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.79 -171.68 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -107.15 164.19 12.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 10.5 m -65.12 -12.13 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.447 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 7.7 t -54.57 -28.23 44.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.566 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -57.97 -53.56 56.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.358 1.036 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.108 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.1 pp -77.54 -24.38 49.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.51 ' N ' HD12 ' A' ' 44' ' ' LEU . 52.3 t30 -58.29 -34.84 70.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.571 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 28.3 t70 -77.88 -42.72 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -95.22 107.84 19.95 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.517 1.136 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.616 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.9 pt20 -82.02 48.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.347 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.616 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -154.2 113.27 3.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.007 HD22 ' CE1' ' A' ' 7' ' ' PHE . 4.8 mt -143.29 165.28 27.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.608 1.192 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 5' ' ' GLY . 1.9 mp -124.31 150.39 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.434 1.084 . . . . 0.0 109.34 -179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 110.334 -0.246 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.918 HD23 HG13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -49.0 -26.82 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 109.217 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.804 ' N ' HD22 ' A' ' 73' ' ' LEU . 26.1 t0 -54.77 -21.48 11.22 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -76.36 -53.58 7.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.38 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.69 HG21 ' CE1' ' A' ' 78' ' ' PHE . 29.9 m -72.39 162.46 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -105.59 68.05 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.69 ' CE1' HG21 ' A' ' 76' ' ' VAL . 2.3 m-30 -58.35 111.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.17 92.95 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.436 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . 99.21 35.94 4.58 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.548 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.09 166.23 10.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.42 0.718 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.005 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -102.61 129.77 49.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.8 132.59 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.723 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.04 142.87 32.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -106.12 118.58 36.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.481 ' HA ' ' CZ2' ' A' ' 159' ' ' TRP . 39.6 p90 . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.918 HG13 HD23 ' A' ' 73' ' ' LEU . 16.7 mm . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.1 t -53.29 -57.07 11.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.384 1.053 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.52 -3.83 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.427 ' CB ' ' HA ' ' A' ' 109' ' ' ILE . 2.5 tpt180 -74.24 -51.07 16.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.3 126.99 0.91 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.408 1.068 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.436 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 132.14 -131.76 6.4 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.29 146.68 40.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 t -123.9 122.46 38.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.464 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 167' ' ' PHE . 7.1 p -111.55 162.66 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.384 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ASP . . . . . 0.464 ' HB2' ' CE ' ' A' ' 157' ' ' LYS . 4.6 p-10 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -50.08 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.9 -40.93 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 12.6 pttt -65.01 -31.01 72.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.3 t -74.31 -60.66 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.002 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.863 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 28.2 t90 -53.14 -57.35 10.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.946 HG21 ' HB3' ' A' ' 25' ' ' GLU . 69.8 t -50.52 -51.76 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -54.76 -31.61 58.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.645 1.215 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.85 -49.28 39.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.863 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -58.1 -53.65 55.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.533 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -63.85 -35.2 79.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -52.56 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 117' ' ' VAL . 14.9 mt-10 -51.89 -61.35 2.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.633 1.208 . . . . 0.0 110.222 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 1.005 ' CE1' HD13 ' A' ' 82' ' ' LEU . 15.9 m-30 -44.7 -25.1 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.387 1.054 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mttp . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.909 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -175.06 73.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.636 HD13 ' CE1' ' A' ' 26' ' ' PHE . 1.1 mp -84.59 149.07 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.618 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -135.28 171.6 22.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.55 116.37 15.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.056 ' CE2' HD23 ' A' ' 44' ' ' LEU . 8.5 m-85 -125.69 128.8 48.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -128.33 179.95 5.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.486 ' O ' HD12 ' A' ' 21' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.836 ' O ' HG22 ' A' ' 22' ' ' ILE . 95.3 t -55.41 -47.24 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.67 -33.27 33.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -39.4 69.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.421 1.076 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.872 HG22 HG21 ' A' ' 156' ' ' ILE . 2.5 mp -66.51 -56.98 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.194 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.936 ' CD1' HG22 ' A' ' 160' ' ' VAL . 2.4 tp -55.9 -33.13 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.94 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.69 -54.28 44.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.627 1.204 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.12 -40.42 97.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.627 1.204 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.791 ' HB3' HG21 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -57.17 -49.74 75.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.636 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.6 OUTLIER -49.75 -21.28 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.99 67.27 2.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.777 ' HB3' HG22 ' A' ' 30' ' ' VAL . 2.5 t30 170.62 -158.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.3 -18.53 12.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.06 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.909 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -48.43 99.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.94 HG21 ' CG ' ' A' ' 23' ' ' ARG . 3.0 t -156.13 81.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.564 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 51.0 p -112.72 99.41 7.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -94.69 164.78 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.587 ' CD2' ' C ' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -76.76 -0.68 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.596 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.897 ' HB2' HD13 ' A' ' 33' ' ' LEU . 2.8 m-20 -39.25 -30.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 36' ' ' VAL . 19.6 m -84.6 50.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -60.69 -14.37 20.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -71.23 -5.43 31.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.35 -171.58 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.44 168.32 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 110.289 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.597 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 5.8 m -64.22 -12.83 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.432 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 15.5 p -54.19 -29.84 47.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.411 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.516 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -57.4 -53.5 57.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.056 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.5 pp -77.2 -23.46 51.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.621 ' N ' HD12 ' A' ' 44' ' ' LEU . 41.0 t30 -62.7 -31.14 71.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.243 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.95 -40.62 68.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -95.39 118.3 31.89 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.528 1.142 . . . . 0.0 111.108 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.477 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 3.6 mt-30 -84.63 40.88 0.82 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.844 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -155.12 113.47 3.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.073 . . . . 0.0 110.955 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.844 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.8 mm? -141.56 162.91 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 5' ' ' GLY . 2.8 mp -118.1 148.3 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 mm . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -53.61 -25.58 18.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.798 ' N ' HD22 ' A' ' 73' ' ' LEU . 17.7 t0 -68.16 -20.54 64.89 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.09 -63.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.715 HG21 ' CE1' ' A' ' 78' ' ' PHE . 7.7 m -40.31 152.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.308 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -88.51 44.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.715 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.9 m-30 -38.02 134.68 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -139.29 124.21 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 49.61 66.16 2.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.619 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -128.77 171.44 12.23 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.26 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.9 OUTLIER -106.19 135.35 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.245 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.482 ' CG2' ' HE3' ' A' ' 81' ' ' LYS . 1.0 OUTLIER -135.27 121.36 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.744 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.91 119.84 39.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -97.97 123.49 42.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.458 HG22 ' HZ1' ' A' ' 81' ' ' LYS . 1.1 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.564 ' HB3' HG21 ' A' ' 116' ' ' THR . 53.9 m -58.76 -40.31 83.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -86.67 11.61 12.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.371 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -54.94 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.075 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -178.08 98.12 0.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 159.82 169.17 22.79 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 146.5 31.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 0.812 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.564 HG21 ' HB3' ' A' ' 110' ' ' SER . 81.3 p -117.39 122.44 43.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.574 1.171 . . . . 0.0 110.433 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.744 HG22 ' HA ' ' A' ' 84' ' ' ALA . 11.8 m -107.17 142.89 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ASP . . . . . 0.463 ' HB3' ' CD ' ' A' ' 157' ' ' LYS . 46.9 m-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -55.85 -40.74 73.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.872 HG21 HG22 ' A' ' 21' ' ' ILE . 1.6 mp -56.48 -52.54 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.463 ' CD ' ' HB3' ' A' ' 154' ' ' ASP . 26.5 mtpt -48.52 -43.01 34.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.705 ' O ' ' HB3' ' A' ' 161' ' ' ALA . 8.1 t -57.44 -64.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.186 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.918 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 32.8 t90 -46.3 -57.93 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 108.029 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.936 HG22 ' CD1' ' A' ' 22' ' ' ILE . 87.3 t -50.0 -31.26 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 158' ' ' SER . . . -68.48 -33.99 75.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.813 ' HG2' HD23 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -74.58 -39.2 62.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.375 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.918 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 4.6 mt -60.85 -54.09 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.448 ' HA ' ' NZ ' ' A' ' 164' ' ' LYS . 0.2 OUTLIER -61.52 -35.02 76.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -64.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.528 ' HB2' HG11 ' A' ' 117' ' ' VAL . 0.7 OUTLIER -67.43 -54.53 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 1.26 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.5 m-30 -35.74 -52.62 0.71 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.539 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.7 OUTLIER 179.81 70.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.802 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -73.93 135.43 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.97 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -138.06 -179.92 17.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.571 HD13 HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -140.61 116.3 10.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.726 . . . . 0.0 109.319 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.88 ' CE2' HD23 ' A' ' 44' ' ' LEU . 9.6 m-85 -121.11 143.9 48.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.654 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -138.18 123.43 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.751 ' O ' HG22 ' A' ' 22' ' ' ILE . 35.6 m -62.42 -38.16 80.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.61 -31.87 26.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.94 -39.97 65.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 21' ' ' ILE . 1.7 mp -66.69 -56.27 14.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.316 ' CD1' HG22 ' A' ' 160' ' ' VAL . 4.2 tp -57.1 -33.41 42.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' CG ' HG21 ' A' ' 31' ' ' VAL . 1.6 tmt_? -62.98 -53.84 47.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.301 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.12 -34.76 64.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 1.059 ' CB ' HG11 ' A' ' 160' ' ' VAL . 63.4 mm-40 -65.79 -49.73 67.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.913 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -53.68 -18.76 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.16 64.51 4.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.762 ' HB3' HG22 ' A' ' 30' ' ' VAL . 9.0 m-20 169.99 -172.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.774 . . . . 0.0 109.259 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.86 -16.14 18.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.221 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.762 HG22 ' HB3' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -47.94 99.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.522 HG21 ' CG ' ' A' ' 23' ' ' ARG . 53.1 t -156.19 85.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.535 ' O ' ' HA3' ' A' ' 5' ' ' GLY . 7.7 p -113.13 99.43 7.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.649 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -104.02 166.51 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.387 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -59.9 -15.49 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.575 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.502 ' HB2' HD13 ' A' ' 33' ' ' LEU . 9.1 m-20 -37.35 -33.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.415 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 33' ' ' LEU . 5.9 m -81.22 53.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.1 t -63.64 -11.1 22.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -5.68 32.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.98 -171.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.354 1.034 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.02 -175.14 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.521 HG11 ' HB3' ' A' ' 75' ' ' ASP . 2.4 m -65.74 -11.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -58.48 -27.48 64.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.542 1.151 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.464 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -68.74 -54.64 14.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.88 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.3 pp -62.68 -27.46 69.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.55 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.3 t30 -74.5 -30.96 62.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.04 -39.23 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.63 145.81 28.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.508 ' CB ' ' HB3' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -107.79 39.1 2.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.225 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.482 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -155.4 113.63 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.634 HD23 ' CA ' ' A' ' 5' ' ' GLY . 46.9 mt -151.74 165.03 35.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.97 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.1 mp -130.29 153.96 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' ASP . 16.1 mp0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.983 HD23 ' CG1' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -44.69 -26.98 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.613 ' H ' HD13 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -51.31 -22.05 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.521 ' HB3' HG11 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -100.26 -44.65 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.804 HG11 ' CE1' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -54.08 -171.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.598 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.0 p-10 -145.81 66.77 1.21 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.804 ' CE1' HG11 ' A' ' 76' ' ' VAL . 6.2 m-30 -61.49 113.54 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 2.6 m120 -129.72 61.9 1.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.94 58.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.841 ' O ' ' HA3' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -147.14 169.44 19.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.392 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -96.36 128.17 43.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.756 ' O ' ' HA ' ' A' ' 116' ' ' THR . 0.0 OUTLIER -131.59 123.29 52.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 1.055 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.93 162.4 12.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.662 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 0.3 OUTLIER -129.08 130.65 46.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.931 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.747 ' CD2' ' CH2' ' A' ' 159' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.983 ' CG1' HD23 ' A' ' 73' ' ' LEU . 1.7 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.445 ' CB ' ' HB ' ' A' ' 116' ' ' THR . 0.7 OUTLIER -55.57 -62.12 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.065 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -54.1 -19.41 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.308 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -75.37 -42.57 53.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.417 ' HA3' ' C ' ' A' ' 79' ' ' ASN . . . 173.44 127.41 0.98 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 119.09 -140.27 14.95 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.65 154.56 41.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 0.808 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.756 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -122.55 147.32 46.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.573 1.17 . . . . 0.0 110.373 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 1.055 HG22 ' HA ' ' A' ' 84' ' ' ALA . 5.9 m -135.84 152.73 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -75.89 -56.53 4.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.7 OUTLIER -52.32 -44.95 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -31.04 71.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -61.79 -71.76 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.87 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 17.7 t90 -46.23 -51.08 15.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 108.01 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 1.316 HG22 ' CD1' ' A' ' 22' ' ' ILE . 33.1 t -51.37 -40.61 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -69.31 -31.59 70.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.57 -46.05 80.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.87 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.2 OUTLIER -71.84 -54.22 10.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.913 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -53.71 -39.85 65.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 12.8 m -61.92 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.726 ' CB ' HG11 ' A' ' 117' ' ' VAL . 4.2 mm-40 -46.04 -61.92 1.55 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.964 ' CZ ' ' HB2' ' A' ' 84' ' ' ALA . 13.1 m-30 -37.53 -60.27 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.955 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.609 ' HG2' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.64 71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.966 HD12 HG11 ' A' ' 30' ' ' VAL . 1.1 mt -97.56 137.85 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.913 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -136.9 -175.77 13.98 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.22 117.18 8.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.752 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.9 m-85 -125.24 127.07 46.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -122.57 179.78 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 111.036 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.406 1.066 . . . . 0.0 111.02 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.937 ' O ' HG22 ' A' ' 22' ' ' ILE . 10.9 m -55.27 -37.3 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.449 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -57.44 -33.29 67.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -37.96 66.59 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.923 HG22 HG21 ' A' ' 156' ' ' ILE . 2.4 mp -66.69 -56.36 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.986 ' CD1' HG22 ' A' ' 160' ' ' VAL . 2.6 tp -55.07 -36.95 40.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.651 ' CG ' HG21 ' A' ' 31' ' ' VAL . 3.6 tmt_? -59.2 -53.99 51.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -62.01 -40.88 97.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.871 ' OE2' ' HE2' ' A' ' 157' ' ' LYS . 65.1 mm-40 -57.62 -49.92 74.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.335 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.623 ' HE1' HD13 ' A' ' 4' ' ' ILE . 0.7 OUTLIER -55.21 -17.61 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.073 179.841 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.7 45.6 93.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.402 1.064 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -173.48 155.9 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -70.34 -7.78 45.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.966 HG11 HD12 ' A' ' 4' ' ' ILE . 2.2 t -55.71 100.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.71 ' O ' HG12 ' A' ' 31' ' ' VAL . 2.8 t -156.44 81.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.59 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 20.5 p -108.3 98.92 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.185 . . . . 0.0 110.425 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.81 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -95.24 164.09 12.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.633 ' CD2' ' C ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -78.57 2.4 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.651 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.81 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.8 m-20 -37.9 -32.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 36' ' ' VAL . 5.4 m -83.38 51.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -60.46 -13.92 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -5.6 31.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.92 -171.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.15 167.89 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.234 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.51 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 4.1 m -65.41 -11.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 p -53.77 -27.49 29.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.404 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -67.56 -53.51 27.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.752 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.5 pp -68.45 -22.87 64.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.557 ' N ' HD12 ' A' ' 44' ' ' LEU . 43.7 t30 -75.19 -30.72 60.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 12.3 t0 -63.85 -40.14 95.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -100.65 143.68 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 111.047 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.512 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.8 OUTLIER -107.7 40.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.512 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -155.83 113.23 3.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.678 HD23 ' CA ' ' A' ' 5' ' ' GLY . 26.7 mt -149.57 165.58 31.81 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.103 HG21 ' CH2' ' A' ' 159' ' ' TRP . 3.6 mp -127.3 158.6 38.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.418 HD11 HD21 ' A' ' 73' ' ' LEU . 2.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -57.17 -26.11 60.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.6 -20.97 66.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.57 -63.08 1.49 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.68 HG21 ' CE1' ' A' ' 78' ' ' PHE . 13.7 m -44.38 150.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -86.34 47.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.5 m-30 -38.81 105.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.09 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -63.62 -151.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.646 1.216 . . . . 0.0 109.235 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.453 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . -67.01 57.58 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.377 1.048 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HD3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.2 171.39 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.352 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.25 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -100.84 138.73 37.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.48 ' CG2' ' HE2' ' A' ' 81' ' ' LYS . 0.5 OUTLIER -140.24 121.17 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.764 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.92 157.34 16.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.589 ' O ' ' NE1' ' A' ' 159' ' ' TRP . 0.1 OUTLIER -130.08 134.17 47.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.393 1.058 . . . . 0.0 111.022 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.574 ' HA ' ' NE1' ' A' ' 159' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 111.053 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.78 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.441 ' HG3' ' CG2' ' A' ' 116' ' ' THR . 2.1 mt-30 -92.0 -46.66 7.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -58.97 -15.77 14.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 79' ' ' ASN . . . -108.46 27.15 14.32 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 124.393 1.058 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.453 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 112.5 -118.06 4.53 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.624 0.838 . . . . 0.0 111.024 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -119.17 147.78 43.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.796 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.441 ' CG2' ' HG3' ' A' ' 111' ' ' GLN . 4.0 t -131.93 137.52 47.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.419 1.074 . . . . 0.0 110.403 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 84' ' ' ALA . 10.2 m -125.08 142.83 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.43 1.081 . . . . 0.0 111.082 -179.894 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.531 ' HG2' HD13 ' A' ' 156' ' ' ILE . 9.6 ttm180 -75.79 -56.34 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.244 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.923 HG21 HG22 ' A' ' 21' ' ' ILE . 1.2 mm -70.62 -41.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.871 ' HE2' ' OE2' ' A' ' 25' ' ' GLU . 6.1 mttt -59.35 -31.35 69.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.0 t -74.34 -66.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.057 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 1.103 ' CH2' HG21 ' A' ' 51' ' ' ILE . 50.7 t90 -44.06 -53.02 6.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 107.942 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.986 HG22 ' CD1' ' A' ' 22' ' ' ILE . 13.7 t -51.2 -51.85 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.54 -32.29 62.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.3 -44.76 74.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.422 1.076 . . . . 0.0 110.307 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.845 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -65.35 -53.73 39.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.242 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.619 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -59.51 -33.28 71.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -67.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.721 ' CB ' HG11 ' A' ' 117' ' ' VAL . 1.6 tp10 -60.67 -57.48 12.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.345 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 1.25 ' CE1' HD13 ' A' ' 82' ' ' LEU . 11.0 m-30 -37.57 -61.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.529 ' CB ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.78 ' HG3' HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -175.31 48.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.682 HG23 ' HB2' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -73.69 161.26 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.559 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -169.86 -144.52 4.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -153.78 127.86 9.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.231 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.899 ' CE2' HD23 ' A' ' 44' ' ' LEU . 8.5 m-85 -126.14 141.93 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -132.98 166.5 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 110.956 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.476 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 m -55.31 -36.61 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.76 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -34.74 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -61.3 -56.68 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.923 HD11 HG23 ' A' ' 160' ' ' VAL . 6.8 tp -54.83 -42.15 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.881 ' HG3' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.77 -51.41 56.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.456 ' N ' ' CD ' ' A' ' 23' ' ' ARG . 35.6 t0 -63.94 -37.48 87.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.557 ' HB3' HG11 ' A' ' 160' ' ' VAL . 59.0 mm-40 -58.38 -49.99 75.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.629 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 1.7 m-85 -49.7 -21.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.19 -46.29 2.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.518 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.8 m120 -90.83 -172.14 3.26 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.405 0.709 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.898 ' O ' HG12 ' A' ' 31' ' ' VAL . 28.4 t0 -95.8 0.55 52.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.529 HG11 ' CB ' ' A' ' 2' ' ' LYS . 1.6 m -59.52 99.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.898 HG12 ' O ' ' A' ' 29' ' ' ASP . 0.7 OUTLIER -155.68 98.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.78 HG21 ' HG3' ' A' ' 3' ' ' LYS . 11.4 p -129.56 99.1 5.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.66 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -104.63 158.32 16.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.426 ' C ' ' N ' ' A' ' 36' ' ' VAL . 37.5 p-80 -39.21 -30.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.596 1.185 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -39.09 -31.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 33' ' ' LEU . 31.5 m -79.9 55.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -71.89 -4.99 31.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -5.47 32.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB1' ' OD2' ' A' ' 43' ' ' ASP . . . -133.0 143.39 49.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.16 -169.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 5.5 m -67.5 -11.7 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.0 t -56.0 -29.04 59.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.611 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -61.85 -53.19 59.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.899 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.3 pp -72.25 -23.04 61.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.655 ' N ' HD12 ' A' ' 44' ' ' LEU . 54.5 t30 -67.07 -33.24 75.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -76.71 -41.27 45.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.49 111.68 23.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.662 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.5 pt20 -87.86 40.86 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.682 ' HB2' HG23 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -147.69 110.48 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.859 HD13 ' CD1' ' A' ' 7' ' ' PHE . 37.4 mt -153.64 140.84 19.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.747 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.7 mt -96.16 162.3 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.44 HD11 HG11 ' A' ' 83' ' ' VAL . 2.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 74' ' ' ASP . 26.1 tt0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.871 HD23 HG12 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -44.6 -27.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.594 ' H ' HD13 ' A' ' 73' ' ' LEU . 31.4 t70 -49.1 -23.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -57.64 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.696 HG21 HD11 ' A' ' 44' ' ' LEU . 64.5 t -51.35 142.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.412 1.07 . . . . 0.0 109.265 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -88.84 62.41 6.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CD1' ' HD2' ' A' ' 81' ' ' LYS . 1.7 m-30 -50.92 120.78 5.16 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.54 127.51 49.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.6 14.71 29.81 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.587 ' HD2' ' CD1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -73.75 169.83 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.886 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -118.55 131.33 56.22 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.416 1.073 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 3.0 t -135.89 132.53 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.792 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -101.36 162.84 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -132.88 131.96 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 111.053 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.871 HG12 HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.462 ' CB ' ' OG1' ' A' ' 116' ' ' THR . 0.8 OUTLIER -60.31 -61.59 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.389 1.055 . . . . 0.0 110.0 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -32.22 71.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -63.1 -40.55 97.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.71 69.64 0.09 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 110' ' ' SER . . . 164.01 -152.2 21.92 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 146.61 37.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.767 . . . . 0.0 109.235 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.462 ' OG1' ' CB ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -112.28 127.43 55.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.741 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 14.6 p -115.24 132.32 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ASP . . . . . 0.456 ' HB2' ' CD ' ' A' ' 157' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -75.84 -32.37 59.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.421 HD12 ' H ' ' A' ' 156' ' ' ILE . 0.9 OUTLIER -66.49 -52.43 46.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' ' 154' ' ' ASP . 0.0 OUTLIER -50.19 -30.87 12.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 t -73.45 -45.34 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.865 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 92.1 t90 -61.17 -55.42 32.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.126 . . . . 0.0 107.998 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.923 HG23 HD11 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -57.23 -47.96 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.474 ' N ' ' CG1' ' A' ' 160' ' ' VAL . . . -57.51 -32.38 66.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -65.89 -41.06 92.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.865 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.4 OUTLIER -67.08 -53.37 31.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.461 ' HA ' ' NZ ' ' A' ' 164' ' ' LYS . 0.2 OUTLIER -58.18 -38.75 77.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.586 1.179 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 17.8 m -56.87 -65.41 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.085 . . . . 0.0 110.033 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.701 ' HB2' HG21 ' A' ' 117' ' ' VAL . 2.7 mm-40 -53.44 -55.37 25.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.886 ' CE1' HD13 ' A' ' 82' ' ' LEU . 21.5 m-30 -57.19 -18.2 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 110.952 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.695 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -174.88 66.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.206 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.74 147.74 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.751 ' O ' HD23 ' A' ' 6' ' ' LEU . . . -139.61 -179.25 17.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -141.14 117.19 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.848 ' CE2' HD23 ' A' ' 44' ' ' LEU . 10.2 m-85 -127.65 133.29 49.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.606 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -132.75 177.93 7.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.609 1.193 . . . . 0.0 111.013 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 23.9 m . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.708 ' O ' HG22 ' A' ' 22' ' ' ILE . 88.6 t -64.16 -47.34 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.56 -27.6 11.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.02 -38.71 61.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.522 HG23 HD13 ' A' ' 156' ' ' ILE . 2.2 mp -69.3 -56.16 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 18' ' ' VAL . 3.9 tp -58.67 -33.49 49.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.568 1.168 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -53.92 49.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.48 -24.58 67.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.64 ' HB3' HG21 ' A' ' 160' ' ' VAL . 13.6 mm-40 -75.28 -39.66 59.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.599 ' CE1' ' HD2' ' A' ' 164' ' ' LYS . 1.2 m-85 -77.18 1.94 16.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . 41.09 -162.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.427 ' CB ' HG22 ' A' ' 30' ' ' VAL . 14.9 m-20 47.22 -172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.747 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -96.84 -6.29 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 3' ' ' LYS . 7.7 m -57.88 98.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.624 ' CG1' HD21 ' A' ' 33' ' ' LEU . 76.0 t -157.04 81.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.587 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 22.0 p -116.5 98.85 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.892 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -119.09 167.4 11.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' VAL . 26.3 p-80 -39.64 -29.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' LEU . 6.3 t70 -38.41 -31.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.422 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 33' ' ' LEU . 14.8 m -86.93 47.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.5 p -55.1 -18.68 5.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.95 -5.65 32.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.556 ' HB1' ' OD2' ' A' ' 43' ' ' ASP . . . -119.97 119.86 34.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.32 -168.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.433 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 1.6 m -63.9 -12.41 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 t -57.98 -27.72 63.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.556 ' OD2' ' HB1' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -71.18 -52.83 16.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.848 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.1 pp -66.0 -23.92 66.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.506 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -77.95 -31.09 50.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.6 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 30.6 t70 -70.54 -39.2 74.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.6 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -99.64 142.4 31.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.989 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.483 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -107.96 38.99 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.483 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -154.58 112.7 3.51 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.437 1.086 . . . . 0.0 111.057 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.669 HD22 ' CD1' ' A' ' 7' ' ' PHE . 15.6 mt -149.21 164.71 34.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 84' ' ' ALA . 2.7 mp -118.11 139.1 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 73' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.797 HD22 ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -54.05 -27.07 30.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.688 ' N ' HD13 ' A' ' 73' ' ' LEU . 2.9 t70 -45.59 -26.34 0.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' LEU . 2.0 m-20 -87.93 -59.83 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.704 HG21 HD11 ' A' ' 44' ' ' LEU . 85.6 t -42.81 152.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.35 66.81 2.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CE2' ' HE3' ' A' ' 81' ' ' LYS . 2.0 m-30 -56.31 134.08 53.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -138.63 144.33 39.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 37.58 54.95 1.73 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.595 1.184 . . . . 0.0 110.974 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.931 ' NZ ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -122.89 171.14 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 0.813 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.2 pp -109.98 134.01 52.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.931 HG13 ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -132.61 119.81 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.862 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . . . -101.89 114.02 27.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.678 ' CD2' ' O ' ' A' ' 117' ' ' VAL . 1.2 p90 -100.9 133.2 45.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.66 ' HB2' ' CZ2' ' A' ' 159' ' ' TRP . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 78' ' ' PHE . 8.2 mm . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 m -40.8 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.74 -42.14 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -58.45 -48.8 79.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.224 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -44.28 -54.6 6.23 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.48 1.113 . . . . 0.0 111.07 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.15 -120.64 0.92 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.38 146.63 32.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 0.721 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -123.77 144.84 49.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.367 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.678 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 4.5 m -124.03 162.49 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.62 ' HA3' ' CZ ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 158' ' ' SER . 75.5 m-20 . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -69.82 -56.72 6.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.522 HD13 HG23 ' A' ' 21' ' ' ILE . 1.0 OUTLIER -66.3 -39.51 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 0.0 OUTLIER -67.62 -31.23 71.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 154' ' ' ASP . 3.1 m -67.77 -73.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.771 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 20.0 t90 -42.64 -55.24 3.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 108.022 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.869 HG13 ' HZ1' ' A' ' 164' ' ' LYS . 40.9 t -50.64 -53.71 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.53 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -53.29 -30.72 40.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.33 -48.29 35.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.771 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -59.1 -56.53 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.869 ' HZ1' HG13 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -62.55 -30.99 71.71 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.526 1.142 . . . . 0.0 109.229 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.4 t -58.84 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.45 ' HB3' HG11 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -45.07 -57.84 3.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.862 ' CE2' ' HB2' ' A' ' 84' ' ' ALA . 22.5 m-30 -55.57 -21.23 16.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.064 . . . . 0.0 111.03 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.706 ' O ' ' C ' ' A' ' 3' ' ' LYS . 6.7 tttt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.892 ' HA ' HG12 ' A' ' 30' ' ' VAL . 1.9 tptm 6.02 75.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.645 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -76.98 137.58 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.656 ' CA ' HD23 ' A' ' 50' ' ' LEU . . . -131.12 179.72 16.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.971 HD12 ' O ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -139.13 117.27 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.336 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.824 ' CE2' HD23 ' A' ' 44' ' ' LEU . 8.5 m-85 -122.89 122.84 39.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.651 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -126.95 150.57 49.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.899 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.6 p -55.08 -31.87 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -63.64 -27.3 69.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -38.64 62.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.848 HG22 ' OE1' ' A' ' 25' ' ' GLU . 2.7 mp -69.69 -56.65 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.899 HG22 ' O ' ' A' ' 18' ' ' VAL . 5.5 tp -57.3 -34.65 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.629 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.58 -53.21 59.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.379 1.049 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.27 -38.47 65.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.974 ' HB3' HG21 ' A' ' 160' ' ' VAL . 16.4 mt-10 -62.45 -50.22 72.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.263 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.645 ' CE1' HD13 ' A' ' 4' ' ' ILE . 2.2 m-85 -57.46 -52.65 64.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . 98.92 -81.96 0.58 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.441 1.088 . . . . 0.0 111.067 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.854 ' HB3' HG22 ' A' ' 30' ' ' VAL . 7.8 m-20 -39.3 157.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.62 -17.04 30.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.892 HG12 ' HA ' ' A' ' 3' ' ' LYS . 2.8 m -47.92 100.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.714 ' O ' HG12 ' A' ' 31' ' ' VAL . 3.0 t -155.31 81.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.971 ' O ' HD12 ' A' ' 6' ' ' LEU . 2.9 p -111.71 156.56 21.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.784 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -158.97 164.0 35.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.097 . . . . 0.0 109.229 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.558 ' HD2' ' N ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -64.76 -11.48 37.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.587 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.784 ' HB2' HD13 ' A' ' 33' ' ' LEU . 33.7 t0 -38.55 -31.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.364 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 33' ' ' LEU . 5.9 m -80.7 54.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -68.11 -8.29 36.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.941 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.9 -8.11 50.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.419 1.075 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.7 -171.59 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.373 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -106.24 -169.2 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.921 HG11 ' HB3' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -71.01 -10.87 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -55.57 -27.83 51.44 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.421 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -68.27 -54.19 19.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.824 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.9 pp -66.94 -23.43 65.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.41 ' HB2' HG23 ' A' ' 76' ' ' VAL . 43.9 t30 -74.94 -31.23 61.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.475 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -63.13 -39.89 96.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.638 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.26 144.73 29.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.62 1.2 . . . . 0.0 111.063 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.49 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 4.8 mp0 -107.67 37.42 2.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.607 1.192 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -155.23 114.16 3.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.656 HD23 ' CA ' ' A' ' 5' ' ' GLY . 34.6 mt -149.43 165.39 32.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.726 HG21 ' HH2' ' A' ' 159' ' ' TRP . 2.7 mp -118.97 142.79 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.435 HG13 HG13 ' A' ' 83' ' ' VAL . 2.0 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.644 HD12 HG21 ' A' ' 109' ' ' ILE . 1.8 pt? -58.01 -26.22 62.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -45.4 -25.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.921 ' HB3' HG11 ' A' ' 41' ' ' VAL . 1.0 OUTLIER -91.05 -61.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.23 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.814 ' HB ' HD11 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -44.78 168.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.401 1.063 . . . . 0.0 109.257 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -123.53 66.53 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.753 ' CE1' HG11 ' A' ' 76' ' ' VAL . 4.4 m-30 -61.41 106.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 111.059 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -134.6 66.85 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.1 44.01 0.12 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.566 ' HD2' ' CG ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -134.36 166.97 21.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.06 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -95.55 136.4 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 2.9 t -137.01 128.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.829 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.69 114.07 27.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -97.1 115.79 28.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.429 1.081 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.66 HD12 ' HB2' ' A' ' 78' ' ' PHE . 35.6 mm . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.453 ' CA ' ' OG1' ' A' ' 116' ' ' THR . 3.1 m -41.39 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -91.6 -45.43 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -59.05 -17.12 22.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -106.47 39.94 2.68 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.548 1.155 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 106.12 -112.14 3.81 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -126.69 147.69 49.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.453 ' OG1' ' CA ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -130.12 133.93 46.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.102 . . . . 0.0 110.368 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.829 HG22 ' HA ' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -102.06 146.09 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 23.7 ttt-85 -75.74 -56.65 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.692 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.4 OUTLIER -51.35 -53.45 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.552 ' NZ ' ' HB2' ' A' ' 161' ' ' ALA . 0.0 OUTLIER -58.6 -30.34 67.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -67.82 -63.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.953 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.915 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 21.2 t90 -42.14 -56.74 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.974 HG21 ' HB3' ' A' ' 25' ' ' GLU . 25.6 t -51.67 -51.92 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.552 ' HB2' ' NZ ' ' A' ' 157' ' ' LYS . . . -52.22 -31.96 34.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -71.95 -49.4 37.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 110.331 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.915 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -59.74 -54.76 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -61.2 -36.44 79.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.7 OUTLIER -51.85 -62.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.906 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 167' ' ' PHE . 7.9 tp10 -67.88 -56.95 7.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 1.06 ' CE1' HD13 ' A' ' 82' ' ' LEU . 11.4 m-30 -37.64 -46.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.568 1.167 . . . . 0.0 110.931 -179.873 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.24 36.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.741 ' CG2' HD11 ' A' ' 51' ' ' ILE . 3.3 mp -73.37 154.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.222 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.819 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -143.03 169.94 25.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.614 HD12 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -134.07 116.41 15.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.039 ' CD2' HD23 ' A' ' 44' ' ' LEU . 4.9 m-85 -118.04 119.1 33.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.54 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 1.4 p90 -124.99 179.87 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.106 0 O-C-N 124.488 1.117 . . . . 0.0 110.962 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.462 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 16.3 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 22' ' ' ILE . 6.4 t -57.73 -41.36 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.25 -38.14 50.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -31.61 66.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.586 1.179 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.161 ' CG2' HD13 ' A' ' 156' ' ' ILE . 1.9 mp -68.87 -56.32 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.876 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 6.1 tp -55.54 -38.02 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.07 -53.84 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.31 -20.63 65.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.813 ' OE2' ' CE ' ' A' ' 157' ' ' LYS . 5.2 mm-40 -76.69 -49.8 15.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.948 ' CE1' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -64.24 -10.33 22.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . 42.82 83.11 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.712 ' HB3' HG12 ' A' ' 30' ' ' VAL . 5.5 m-20 155.88 -174.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.584 0.814 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 31' ' ' VAL . 1.3 m-20 -82.56 -20.93 35.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.712 HG12 ' HB3' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -47.34 97.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 30' ' ' VAL . 71.8 t -158.27 80.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.602 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 29.1 p -119.71 98.83 6.3 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.411 1.069 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.983 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -105.99 156.53 18.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.472 ' CD2' ' N ' ' A' ' 35' ' ' ASP . 0.1 OUTLIER -45.31 -26.04 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.532 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.983 ' HB2' HD13 ' A' ' 33' ' ' LEU . 3.7 t70 -38.19 -31.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 36' ' ' VAL . 9.7 p -76.67 56.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.1 t -74.05 -2.74 25.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.983 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.16 -5.5 32.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.591 1.182 . . . . 0.0 110.204 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.505 ' HB3' ' CG ' ' A' ' 43' ' ' ASP . . . -136.93 138.1 40.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -169.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 29.0 m -64.61 -12.33 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.8 p -59.07 -27.58 65.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.457 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.562 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -57.81 -53.71 55.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.039 HD23 ' CD2' ' A' ' 7' ' ' PHE . 3.6 pp -73.69 -23.08 59.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.614 ' N ' HD12 ' A' ' 44' ' ' LEU . 60.2 t30 -66.26 -30.7 71.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.414 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 11.9 m-20 -67.93 -36.89 80.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -96.34 130.34 43.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 111.016 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -90.25 29.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.603 1.189 . . . . 0.0 110.294 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.836 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -147.26 112.83 5.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 49' ' ' TYR . 4.3 mm? -134.53 161.26 35.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.595 1.184 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.819 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.9 mp -128.89 148.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.884 HD11 ' CE1' ' A' ' 85' ' ' TYR . 1.6 pt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -54.15 -27.27 32.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.837 ' N ' HD13 ' A' ' 73' ' ' LEU . 3.2 t70 -49.45 -23.82 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 73' ' ' LEU . 1.0 OUTLIER -90.39 -55.47 3.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.56 HG21 HD11 ' A' ' 44' ' ' LEU . 89.2 t -40.38 139.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.35 57.18 1.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CD2' HD23 ' A' ' 73' ' ' LEU . 1.2 m-85 -55.68 110.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 111.031 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -65.26 -153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.08 58.54 0.23 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 79' ' ' ASN . 2.0 mttt -93.85 172.01 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.812 HD12 ' C ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -94.9 131.47 40.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 2.8 t -132.97 148.07 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 1.025 ' HA ' HG12 ' A' ' 117' ' ' VAL . . . -115.38 136.47 53.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.884 ' CE1' HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -117.15 112.44 20.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.071 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.538 ' HD2' ' CE2' ' A' ' 159' ' ' TRP . 5.4 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.471 HG23 ' HA3' ' A' ' 113' ' ' GLY . 20.7 mm . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.688 ' O ' HG23 ' A' ' 116' ' ' THR . 73.5 m -35.14 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.23 -30.99 13.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.35 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.29 19.67 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.226 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.471 ' HA3' HG23 ' A' ' 109' ' ' ILE . . . -130.79 7.31 5.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.28 -119.84 4.51 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -113.08 158.74 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 0.713 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 110' ' ' SER . 1.4 p -133.69 133.51 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 1.025 HG12 ' HA ' ' A' ' 84' ' ' ALA . 4.7 p -100.09 148.89 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ASP . . . . . 0.466 ' HB3' ' CG ' ' A' ' 157' ' ' LYS . 14.3 m-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -75.9 -56.24 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 1.161 HD13 ' CG2' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -54.56 -32.3 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 109.246 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.813 ' CE ' ' OE2' ' A' ' 25' ' ' GLU . 9.8 mtpt -67.68 -39.79 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.3 p -69.31 -46.98 65.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 110.047 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.785 ' CH2' HG21 ' A' ' 51' ' ' ILE . 18.8 t90 -60.19 -63.63 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.876 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 50.6 t -50.84 -32.42 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.385 1.053 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -70.71 -31.61 68.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -73.53 -55.85 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.825 ' HA ' HG21 ' A' ' 117' ' ' VAL . 0.1 OUTLIER -58.14 -53.9 52.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.948 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -58.77 -38.94 79.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.0 OUTLIER -52.85 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.77 ' HG3' HG23 ' A' ' 117' ' ' VAL . 5.8 mt-10 -48.29 -59.72 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.356 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.798 ' CE1' HD13 ' A' ' 82' ' ' LEU . 17.4 m-30 -47.28 -23.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.865 ' HA ' HG12 ' A' ' 30' ' ' VAL . 8.9 tttt -174.8 66.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.443 HG21 ' CE1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -73.91 146.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.335 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.638 ' CA ' HD23 ' A' ' 50' ' ' LEU . . . -138.45 -179.14 16.88 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -140.65 115.9 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.946 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.5 m-85 -127.45 118.88 24.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -120.22 179.95 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.947 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.7 ' O ' HG22 ' A' ' 22' ' ' ILE . 85.5 t -62.0 -31.78 52.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.66 -27.11 10.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 109.235 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.9 -42.22 40.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.093 . . . . 0.0 110.276 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.609 ' N ' HD12 ' A' ' 21' ' ' ILE . 1.7 mp -65.19 -53.33 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.7 HG22 ' O ' ' A' ' 18' ' ' VAL . 4.4 tp -59.89 -40.74 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.53 -54.27 48.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.587 1.179 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -22.17 66.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.783 ' HB3' HG21 ' A' ' 160' ' ' VAL . 4.3 mm-40 -77.77 -50.06 13.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.731 ' CZ ' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -60.12 -13.76 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.9 -172.21 15.72 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.545 ' CB ' HG22 ' A' ' 30' ' ' VAL . 2.4 m120 47.24 -172.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.09 -6.52 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.865 HG12 ' HA ' ' A' ' 3' ' ' LYS . 1.3 m -52.48 99.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 30' ' ' VAL . 66.6 t -156.46 83.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.546 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 36.7 p -115.96 99.92 7.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.98 HD13 ' CB ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -102.09 166.48 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.638 ' CD2' ' C ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -69.32 -8.59 47.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.98 ' CB ' HD13 ' A' ' 33' ' ' LEU . 8.3 t70 -39.75 -30.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' A' ' 34' ' ' HIS . 10.6 m -86.15 52.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.3 t -64.76 -11.25 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.023 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -71.22 -5.48 32.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.95 -171.6 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.386 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -101.46 -174.76 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.47 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 3.7 m -78.58 -12.18 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 t -58.5 -28.09 65.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.408 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.545 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -58.41 -52.35 65.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.039 HD12 ' N ' ' A' ' 45' ' ' ASN . 3.7 pp -74.06 -45.43 49.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 1.039 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -46.44 -29.66 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.265 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 98.2 m-20 -65.94 -45.46 81.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.13 145.85 26.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.426 1.079 . . . . 0.0 110.99 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.617 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 6.3 pm0 -108.27 28.28 8.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.225 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.617 ' CE1' ' HG2' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -138.34 111.99 8.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.78 HD22 ' CD1' ' A' ' 7' ' ' PHE . 13.6 mt -148.68 165.9 29.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 109.394 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.779 HG12 ' HB3' ' A' ' 84' ' ' ALA . 2.8 mp -122.0 145.69 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.459 ' HA ' HG12 ' A' ' 76' ' ' VAL . 1.7 pt? -53.4 -26.43 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -45.41 -25.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.467 ' CB ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -95.08 -53.78 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.783 HG11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -47.88 174.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.373 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.06 70.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.783 ' CE1' HG11 ' A' ' 76' ' ' VAL . 5.4 m-30 -65.21 122.28 16.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -140.89 79.25 1.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.411 ' HA2' ' N ' ' A' ' 114' ' ' GLY . . . 108.46 59.38 0.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.411 1.069 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.69 ' CD ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.58 172.82 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.9 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -101.4 135.08 43.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.69 HG23 ' CD ' ' A' ' 81' ' ' LYS . 3.5 t -136.85 132.96 48.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.779 ' HB3' HG12 ' A' ' 51' ' ' ILE . . . -101.78 147.63 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -115.65 119.77 37.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.542 ' HA ' ' CZ2' ' A' ' 159' ' ' TRP . 76.8 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.664 HG22 ' HE2' ' A' ' 81' ' ' LYS . 1.8 mp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.489 ' CB ' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER -53.21 -57.06 11.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.014 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -81.16 -2.52 48.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 110.245 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.433 ' CB ' ' HA ' ' A' ' 109' ' ' ILE . 1.1 ttt85 -75.2 -48.85 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.19 126.51 0.95 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.362 1.039 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 128.22 -144.98 15.7 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.16 146.5 45.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.608 0.828 . . . . 0.0 109.286 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.489 HG21 ' CB ' ' A' ' 110' ' ' SER . 12.5 p -120.54 122.51 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.683 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 9.3 p -100.05 129.68 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ASP . . . . . 0.426 ' HB3' ' CG ' ' A' ' 157' ' ' LYS . 28.0 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -50.13 27.61 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.618 1.199 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.666 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.84 -40.93 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 4.4 mttm -56.58 -32.09 64.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 159' ' ' TRP . 0.5 OUTLIER -76.84 -71.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.85 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 27.9 t90 -42.16 -56.7 2.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 108.031 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 25' ' ' GLU . 85.4 t -50.46 -52.1 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -54.03 -31.34 51.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.403 ' O ' HG21 ' A' ' 117' ' ' VAL . 51.0 tp60 -72.76 -47.97 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.85 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.7 OUTLIER -59.23 -54.67 44.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.44 ' HA ' ' NZ ' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -63.97 -34.33 77.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.37 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.9 OUTLIER -53.03 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.454 ' HB2' HG23 ' A' ' 117' ' ' VAL . 15.4 tp10 -52.62 -59.14 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 0.0 110.25 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.9 ' CE1' HD13 ' A' ' 82' ' ' LEU . 15.1 m-30 -46.56 -23.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.862 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -173.07 65.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.581 HG22 HD11 ' A' ' 51' ' ' ILE . 1.1 mp -73.86 152.82 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.573 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -143.76 178.85 21.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -135.56 115.79 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 0.776 . . . . 0.0 109.231 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.695 ' CD1' HD13 ' A' ' 50' ' ' LEU . 6.7 m-85 -124.06 113.58 18.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.578 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -122.75 179.93 4.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 111.089 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.558 1.162 . . . . 0.0 110.951 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.469 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -31.82 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . . . -53.62 -50.03 66.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 109.233 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.34 -30.28 71.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -65.09 -56.26 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.157 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 7.1 tp -54.46 -44.43 67.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.163 . . . . 0.0 109.388 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.857 HH21 HD21 ' A' ' 33' ' ' LEU . 74.7 mtt180 -52.81 -50.52 63.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -56.44 -38.55 71.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.609 ' CB ' HG11 ' A' ' 160' ' ' VAL . 33.4 mm-40 -63.36 -50.06 71.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 1.194 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 2.1 m-85 -62.42 -44.84 95.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . 86.87 -167.48 38.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.557 1.161 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.523 ' CB ' HG22 ' A' ' 30' ' ' VAL . 7.5 m-20 46.86 -171.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 0.723 . . . . 0.0 109.24 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.547 ' O ' HG22 ' A' ' 31' ' ' VAL . 19.2 m-20 -90.38 -6.52 54.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.862 HG12 ' HA ' ' A' ' 3' ' ' LYS . 3.3 m -65.23 99.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 29' ' ' ASP . 20.9 m -156.27 81.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.573 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 34.9 p -118.2 100.14 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.355 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.887 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -107.29 161.22 14.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.517 ' CD2' ' CZ ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -51.25 -21.82 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.691 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.641 ' HB2' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.22 -30.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.541 1.151 . . . . 0.0 109.23 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.887 HG22 ' O ' ' A' ' 33' ' ' LEU . 10.9 m -78.37 55.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.0 t -74.13 -3.03 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.052 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -71.13 -14.08 62.17 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.54 -171.64 1.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -104.82 173.31 6.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.236 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.784 HG11 ' HB2' ' A' ' 75' ' ' ASP . 7.5 m -53.73 -20.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.404 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 t -53.64 -30.25 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.599 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -49.49 -49.24 46.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.952 HD12 ' CE1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -76.26 -38.94 55.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -46.16 -29.14 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.503 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 99.4 m-20 -78.12 -45.94 22.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.63 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -95.17 120.73 35.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.626 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 4.2 pm0 -93.95 36.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.626 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -145.37 113.05 6.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.889 ' C ' HD13 ' A' ' 51' ' ' ILE . 69.1 mt -150.74 164.26 36.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.056 HG21 HD13 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -118.13 159.51 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 7' ' ' PHE . 1.4 pt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 109.31 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.802 HD22 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -53.95 -26.32 24.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.802 ' N ' HD22 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -45.58 -26.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.784 ' HB2' HG11 ' A' ' 41' ' ' VAL . 4.1 m-20 -99.62 -33.87 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.743 HG21 HD11 ' A' ' 44' ' ' LEU . 12.1 t -75.24 138.14 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.414 1.071 . . . . 0.0 109.348 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.03 51.16 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.952 ' CE1' HD12 ' A' ' 44' ' ' LEU . 1.1 m-30 -50.69 97.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.617 ' HA ' ' HA2' ' A' ' 113' ' ' GLY . 1.7 m-80 -133.82 60.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.421 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . 137.04 58.46 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.621 ' HG3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -142.04 168.37 19.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.364 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.2 OUTLIER -97.99 129.11 44.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.518 HG23 HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER -137.29 130.59 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 1.112 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -101.56 142.04 33.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 0.1 OUTLIER -121.58 144.82 48.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 1.146 ' CD2' ' CD1' ' A' ' 159' ' ' TRP . 5.8 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 78' ' ' PHE . 4.2 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.671 ' O ' HG23 ' A' ' 116' ' ' THR . 4.5 m -39.43 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.944 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -93.32 -44.18 8.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -29.1 66.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.617 ' HA2' ' HA ' ' A' ' 79' ' ' ASN . . . -83.29 45.81 3.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.621 1.201 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.421 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 82.61 -112.48 3.52 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.46 146.61 51.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -117.81 122.03 42.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 110.401 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.917 HG21 ' HB3' ' A' ' 166' ' ' GLU . 5.1 p -103.62 176.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 117' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.929 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -75.82 -45.79 34.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.392 1.057 . . . . 0.0 110.26 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.46 -41.99 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.593 ' HE3' ' OE1' ' A' ' 25' ' ' GLU . 12.5 mttp -68.45 -30.65 69.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.222 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -55.73 10.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.423 1.077 . . . . 0.0 109.952 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 1.146 ' CD1' ' CD2' ' A' ' 86' ' ' PHE . 38.9 t90 -63.26 -53.7 48.76 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 1.157 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 51.7 t -50.67 -50.01 23.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 157' ' ' LYS . . . -63.57 -31.42 72.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.62 -56.42 22.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.33 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 1.056 HD13 HG21 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -74.35 -54.68 7.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 1.194 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 21.1 mmmt -44.34 -59.49 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 39.9 m -55.28 -46.67 76.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.917 ' HB3' HG21 ' A' ' 117' ' ' VAL . 0.4 OUTLIER -54.93 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 1.364 ' CE1' HD13 ' A' ' 82' ' ' LEU . 15.2 m-85 -40.42 -31.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.394 1.059 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.784 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -176.29 66.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.961 HD13 ' CE1' ' A' ' 26' ' ' PHE . 1.7 mp -73.61 150.07 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.672 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -139.5 -178.18 16.35 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.542 1.151 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.702 HD12 HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -138.63 116.43 11.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 1.095 ' CE2' HD23 ' A' ' 44' ' ' LEU . 39.9 m-85 -132.48 118.59 19.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.638 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -129.85 179.93 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.507 ' O ' HD12 ' A' ' 21' ' ' ILE . 4.4 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.885 ' O ' HG22 ' A' ' 22' ' ' ILE . 29.3 m -55.15 -47.78 76.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 109.382 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 23' ' ' ARG . . . -51.64 -28.1 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.29 -38.44 60.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.781 HG21 HG21 ' A' ' 156' ' ' ILE . 3.1 mp -71.13 -55.72 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.226 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.919 ' CD1' HG22 ' A' ' 160' ' ' VAL . 1.4 tp -58.61 -33.33 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.628 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -69.19 -56.92 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.067 . . . . 0.0 110.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 23' ' ' ARG . 4.5 t0 -70.02 -16.98 63.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.78 ' HG3' HG11 ' A' ' 160' ' ' VAL . 16.3 tp10 -79.5 -49.86 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.961 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -46.79 -23.18 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 111.006 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.09 -45.58 1.55 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.388 1.055 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.736 ' HB3' HG22 ' A' ' 30' ' ' VAL . 5.5 t-20 -95.49 -153.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.374 0.691 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.643 ' O ' HG12 ' A' ' 31' ' ' VAL . 79.0 m-20 -110.98 2.47 18.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' A' ' 3' ' ' LYS . 1.8 m -62.47 99.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -156.92 89.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.605 1.191 . . . . 0.0 109.31 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.556 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 40.6 p -121.29 99.88 6.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.067 . . . . 0.0 110.42 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.971 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -111.55 165.96 11.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.376 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -56.28 -20.96 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.681 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.971 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.6 t70 -39.12 -30.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 33' ' ' LEU . 15.1 m -85.03 49.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 t -58.13 -15.99 11.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -71.0 -5.63 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.42 -171.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -108.82 170.24 8.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 2.8 p -65.4 -11.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.477 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 4.9 p -57.43 -27.59 62.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.602 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -50.96 -53.8 29.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.095 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.1 pp -77.14 -34.76 56.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.225 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.911 ' N ' HD12 ' A' ' 44' ' ' LEU . 57.9 t30 -47.45 -31.06 3.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -40.33 15.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -96.12 111.94 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.606 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.5 pt20 -86.58 40.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.606 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -147.85 113.02 5.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.032 ' C ' HD13 ' A' ' 51' ' ' ILE . 2.8 mt -146.65 165.23 30.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.032 HD13 ' C ' ' A' ' 50' ' ' LEU . 1.2 mm -117.02 159.51 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.406 1.066 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.805 HD12 ' CD1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.936 ' CD1' HG21 ' A' ' 109' ' ' ILE . 2.6 pp -53.54 -27.11 24.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.402 ' HA ' HD13 ' A' ' 109' ' ' ILE . 6.8 t70 -69.29 -21.53 63.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -77.93 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.061 . . . . 0.0 109.28 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.531 HG21 ' CD1' ' A' ' 44' ' ' LEU . 3.3 m -62.98 141.15 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.8 57.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.43 ' CZ ' HD13 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -58.85 127.23 31.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 111.091 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.9 m120 -139.56 155.38 47.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 36.72 32.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.579 ' HZ3' ' N ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -93.58 170.62 9.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 0.718 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.954 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -110.68 129.66 55.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.579 ' N ' ' HZ3' ' A' ' 81' ' ' LYS . 1.4 t -135.2 123.56 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.892 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.05 138.94 38.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.805 ' CD1' HD12 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -113.92 145.19 41.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.731 ' CD1' ' CD1' ' A' ' 159' ' ' TRP . 6.8 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.936 HG21 ' CD1' ' A' ' 73' ' ' LEU . 1.9 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.53 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.41 -42.09 9.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' GLY . 11.3 ttp180 -58.56 -48.16 81.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -36.9 -55.42 1.41 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.92 -118.0 0.74 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -104.85 146.43 29.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -125.85 125.98 43.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.845 HG22 ' HA ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -96.73 144.41 10.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.369 1.043 . . . . 0.0 111.013 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ASP . . . . . 0.462 ' HB2' ' CD ' ' A' ' 157' ' ' LYS . 3.4 p-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.4 ttp-105 -75.88 -56.63 4.49 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.781 HG21 HG21 ' A' ' 21' ' ' ILE . 1.7 pp -59.17 -42.86 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.664 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 3.8 pttt -62.71 -31.8 72.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.07 -56.86 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.771 ' CZ2' HG21 ' A' ' 51' ' ' ILE . 51.7 t90 -55.96 -59.37 5.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 108.038 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.919 HG22 ' CD1' ' A' ' 22' ' ' ILE . 54.1 t -51.21 -35.46 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -69.08 -31.65 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 166' ' ' GLU . 24.4 tt0 -69.04 -35.99 77.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.743 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.2 OUTLIER -76.32 -53.67 7.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.572 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -58.08 -41.03 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 33.3 m -62.19 -67.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.469 ' CG ' ' HB ' ' A' ' 117' ' ' VAL . 3.8 mm-40 -45.11 -55.95 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 0.954 ' CE1' HD13 ' A' ' 82' ' ' LEU . 22.2 m-30 -60.81 -23.07 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 165' ' ' SER . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.707 ' O ' ' C ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.707 ' C ' ' O ' ' A' ' 2' ' ' LYS . 12.5 ttmt 4.88 75.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.74 HD13 ' CE1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -74.18 146.42 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.933 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -145.75 -172.55 16.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.982 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.95 130.02 15.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 0.804 . . . . 0.0 109.251 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.941 ' CE2' HD23 ' A' ' 44' ' ' LEU . 11.2 m-85 -130.33 123.49 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -123.89 179.91 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.088 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.564 ' O ' HD12 ' A' ' 21' ' ' ILE . 2.5 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 22' ' ' ILE . 29.2 m -55.34 -36.31 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -65.35 -27.5 68.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.93 -45.75 56.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.692 ' CG2' HD13 ' A' ' 156' ' ' ILE . 3.5 mp -59.84 -53.54 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 23' ' ' ARG . 2.2 tp -54.68 -54.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.492 ' C ' ' CD ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -49.74 -49.92 46.32 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.419 1.075 . . . . 0.0 110.299 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -64.6 -25.59 68.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 1.123 ' HB3' HG21 ' A' ' 160' ' ' VAL . 4.5 mm-40 -77.01 -50.06 13.98 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.74 ' CE1' HD13 ' A' ' 4' ' ' ILE . 1.1 m-85 -52.36 -20.22 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 -77.65 1.27 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.36 1.037 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.755 ' CB ' HG22 ' A' ' 30' ' ' VAL . 4.2 m-80 -43.58 165.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.574 ' O ' HG12 ' A' ' 31' ' ' VAL . 2.6 m-20 -75.61 -2.98 31.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.755 HG22 ' CB ' ' A' ' 28' ' ' ASN . 3.5 m -63.99 100.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -155.0 88.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.569 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 66.8 p -117.73 116.57 27.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.9 HD13 ' CB ' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -112.52 156.77 22.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.411 1.069 . . . . 0.0 109.328 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.522 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -79.51 2.99 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.632 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.9 ' CB ' HD13 ' A' ' 33' ' ' LEU . 25.2 t70 -36.93 -33.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' HIS . 22.4 m -85.41 48.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.7 p -50.42 -20.77 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.907 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -70.11 -6.14 31.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 110.371 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.16 -171.34 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' HB3' HG22 ' A' ' 42' ' ' THR . 1.0 OUTLIER -103.71 159.69 15.41 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 110.231 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.554 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 2.5 m -65.46 -11.67 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.195 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.464 HG22 ' HB3' ' A' ' 40' ' ' GLU . 5.8 t -53.59 -26.98 24.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.388 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -66.61 -53.61 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.941 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.7 pp -69.83 -23.23 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.537 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -75.66 -30.21 59.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 20.6 m-20 -67.1 -39.47 86.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.18 143.35 31.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 3.2 mp0 -108.19 39.77 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -154.7 111.56 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.583 HD22 ' CD1' ' A' ' 7' ' ' PHE . 14.4 mt -147.78 165.54 30.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.933 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.3 mp -129.87 160.43 40.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.613 1.196 . . . . 0.0 109.311 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.663 HD11 HD21 ' A' ' 73' ' ' LEU . 5.9 mm . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.059 HD12 HD13 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -51.31 -25.73 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.541 ' HA ' HD12 ' A' ' 109' ' ' ILE . 0.4 OUTLIER -61.55 -20.33 63.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 76' ' ' VAL . 5.5 m-20 -78.39 -65.34 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.717 HG21 ' CE1' ' A' ' 78' ' ' PHE . 10.5 m -44.14 166.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -101.79 52.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.358 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.717 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.8 m-85 -47.54 131.52 14.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' GLY . 1.9 m120 -139.61 150.13 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 79' ' ' ASN . . . 37.04 46.11 1.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.82 ' HZ3' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.08 172.69 7.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.722 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.068 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.1 pp -114.88 133.76 55.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.82 HG22 ' HZ3' ' A' ' 81' ' ' LYS . 9.5 m -134.85 121.58 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.11 161.2 13.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.67 125.34 41.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 1.059 HD13 HD12 ' A' ' 73' ' ' LEU . 54.3 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.0 m -40.23 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.34 -48.09 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.9 mmm-85 -58.78 -21.4 55.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.478 ' O ' ' HE3' ' A' ' 81' ' ' LYS . . . -94.67 -25.96 14.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.407 1.067 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.37 -126.15 1.57 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.82 146.52 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 12.6 t -130.41 133.11 46.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.415 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.712 HG11 ' CB ' ' A' ' 166' ' ' GLU . 9.3 m -120.74 141.39 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.568 1.167 . . . . 0.0 110.975 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ASP . . . . . 0.465 ' HB3' ' CD ' ' A' ' 157' ' ' LYS . 6.2 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.13 -32.09 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.24 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.86 HD12 ' HG2' ' A' ' 25' ' ' GLU . 8.7 pt -72.05 -39.66 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.465 ' CD ' ' HB3' ' A' ' 154' ' ' ASP . 0.0 OUTLIER -60.48 -35.58 76.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.128 . . . . 0.0 109.355 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 33.3 t -73.38 -65.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.842 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 47.4 t90 -43.49 -53.01 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 1.123 HG21 ' HB3' ' A' ' 25' ' ' GLU . 65.9 t -51.57 -51.84 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.19 -31.98 61.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.43 68.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.842 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -63.25 -53.87 46.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.451 ' HA ' ' NZ ' ' A' ' 164' ' ' LYS . 0.1 OUTLIER -62.05 -29.45 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.241 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -63.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.045 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.712 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -67.83 -55.84 11.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 1.068 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.1 m-30 -37.11 -54.59 0.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.547 1.155 . . . . 0.0 110.994 -179.908 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.493 ' C ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.598 ' HA ' HG12 ' A' ' 30' ' ' VAL . 3.0 ttmt -169.43 51.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -72.96 165.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.628 ' HA3' ' O ' ' A' ' 32' ' ' THR . . . -170.76 -153.09 8.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.718 HD13 HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -149.01 126.04 11.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.274 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.94 ' CE2' HD23 ' A' ' 44' ' ' LEU . 13.7 m-85 -128.25 112.51 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -146.6 110.07 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 8.0 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 22' ' ' ILE . 9.0 p -55.07 -39.65 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.539 ' HB1' HD22 ' A' ' 33' ' ' LEU . . . -56.28 -40.72 74.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -37.85 87.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 17' ' ' SER . 2.0 mp -63.33 -58.35 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.559 HG12 HD21 ' A' ' 6' ' ' LEU . 7.0 tp -53.98 -48.75 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.708 ' HG3' HD21 ' A' ' 33' ' ' LEU . 43.5 mtm180 -54.02 -41.97 68.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -30.06 63.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.97 ' HB3' HG21 ' A' ' 160' ' ' VAL . 3.4 mm-40 -66.87 -51.29 57.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.768 ' CE2' ' CE ' ' A' ' 164' ' ' LYS . 1.3 m-85 -44.62 -32.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.76 70.83 0.86 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 1.003 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.4 OUTLIER 171.55 162.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -62.47 -13.98 36.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.003 HG22 ' HB3' ' A' ' 28' ' ' ASN . 16.8 m -70.32 97.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 30' ' ' VAL . 17.2 m -157.22 80.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.628 ' O ' ' HA3' ' A' ' 5' ' ' GLY . 37.2 p -123.2 95.85 4.77 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.512 1.133 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.718 HD23 HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -113.84 174.22 6.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 35' ' ' ASP . 17.5 p-80 -38.24 -30.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.584 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.637 ' HB3' HD12 ' A' ' 33' ' ' LEU . 3.9 t70 -33.34 -39.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 33' ' ' LEU . 33.3 m -80.85 52.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.0 p -73.2 -21.39 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.06 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -70.92 -30.88 67.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HB1' ' OD1' ' A' ' 43' ' ' ASP . . . -91.47 131.69 36.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.432 ' HB2' HG22 ' A' ' 42' ' ' THR . 2.4 mt-10 -54.58 175.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.762 ' CG2' HD11 ' A' ' 44' ' ' LEU . 4.4 p -61.0 -13.83 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.432 HG22 ' HB2' ' A' ' 40' ' ' GLU . 6.4 t -55.37 -25.81 37.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.66 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -61.03 -55.9 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.94 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.1 pp -69.04 -28.22 66.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.773 ' N ' HD12 ' A' ' 44' ' ' LEU . 13.2 t30 -56.15 -40.49 73.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.587 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -75.83 -31.37 59.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.66 ' CD2' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -117.11 71.18 0.79 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.549 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 2.8 mt-30 -65.14 62.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.668 ' O ' HD23 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -158.27 105.37 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.872 HD13 ' CD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -158.47 165.36 34.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.788 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.4 mt -98.39 159.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' A' ' 85' ' ' TYR . 2.7 pp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.448 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.1 pp -51.94 -25.04 7.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.745 ' HA ' HD11 ' A' ' 109' ' ' ILE . 3.2 t0 -50.67 -21.11 1.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -76.87 -62.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.233 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.687 HG21 ' CE1' ' A' ' 78' ' ' PHE . 31.2 m -57.92 147.07 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 78' ' ' PHE . 6.9 m-20 -88.5 49.87 1.87 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.633 1.208 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.687 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.6 m-30 -35.92 113.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -136.11 128.68 30.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.418 ' CA ' ' HA3' ' A' ' 114' ' ' GLY . . . 67.63 9.35 55.44 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.768 ' CD ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -77.6 176.1 9.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.582 0.813 . . . . 0.0 109.261 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.205 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -112.9 131.92 55.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.768 HG13 ' CD ' ' A' ' 81' ' ' LYS . 12.1 m -138.99 129.11 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.788 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -98.86 157.25 16.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.539 ' CE1' HD11 ' A' ' 52' ' ' ILE . 4.6 m-85 -120.46 132.46 55.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' A' ' 74' ' ' ASP . 3.2 mp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 m -77.34 2.32 16.19 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.464 1.103 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -94.96 -63.16 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 113' ' ' GLY . 6.2 mtm105 -114.26 4.57 15.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.539 ' CA ' ' O ' ' A' ' 109' ' ' ILE . . . -26.54 -50.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.418 ' HA3' ' CA ' ' A' ' 80' ' ' GLY . . . 132.84 -101.73 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.46 145.35 39.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.793 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 2.0 t -143.76 136.53 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 167' ' ' PHE . 1.5 m -115.92 128.44 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -48.83 15.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.354 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.893 ' O ' HG23 ' A' ' 160' ' ' VAL . 6.0 pt -51.45 -54.53 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' LYS . . . . . 0.47 ' HA ' ' OE2' ' A' ' 25' ' ' GLU . 3.0 pttt -54.52 -35.94 63.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.33 -64.75 0.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.499 ' CZ2' HG21 ' A' ' 51' ' ' ILE . 23.0 t90 -47.18 -55.11 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.97 HG21 ' HB3' ' A' ' 25' ' ' GLU . 47.0 t -49.51 -57.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -50.5 -29.04 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 166' ' ' GLU . 1.7 tt0 -70.06 -56.48 6.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.244 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.518 ' O ' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -61.35 -57.24 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 164' ' ' LYS . . . . . 0.768 ' CE ' ' CE2' ' A' ' 26' ' ' PHE . 1.4 mmpt? -49.0 -56.38 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 168' ' ' GLY . 40.3 t -54.86 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.034 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 165' ' ' SER . 0.5 OUTLIER -31.74 -59.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 167' ' ' PHE . . . . . 1.205 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.2 m-85 -49.2 -47.25 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 165' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.42 1.075 . . . . 0.0 111.056 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -45.67 131.62 8.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -174.92 70.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.155 . . . . 0.0 109.389 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.837 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -80.49 148.53 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.372 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.671 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -137.13 168.95 24.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -130.09 116.47 18.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.392 0.701 . . . . 0.0 109.318 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.096 ' CD2' HD23 ' A' ' 44' ' ' LEU . 8.0 m-85 -125.72 125.03 42.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -128.85 179.85 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.27 33.38 2.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.506 HG22 ' N ' ' A' ' 11' ' ' GLN . 3.5 m -152.56 170.71 19.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 0.802 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.506 ' N ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -53.13 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.574 1.171 . . . . 0.0 110.273 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.2 m -93.67 -96.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.432 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.8 -133.17 1.71 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.434 1.084 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -129.65 24.32 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.731 . . . . 0.0 109.343 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.473 HG21 ' HB ' ' A' ' 18' ' ' VAL . 1.2 m -105.09 154.89 19.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.43 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -90.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -132.37 74.62 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.952 ' O ' HG22 ' A' ' 22' ' ' ILE . 7.2 p -55.34 -38.31 47.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.87 -32.35 31.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -72.27 -47.37 50.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.031 HG23 HD13 ' A' ' 156' ' ' ILE . 1.7 mp -58.89 -56.36 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.952 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.3 tp -55.75 -36.76 44.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.543 ' NH1' ' OD1' ' A' ' 135' ' ' ASN . 0.4 OUTLIER -62.92 -44.69 95.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.35 -18.91 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.955 ' CB ' HG21 ' A' ' 160' ' ' VAL . 59.0 mm-40 -77.64 -49.74 13.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.837 ' CE1' HD13 ' A' ' 4' ' ' ILE . 2.3 m-85 -53.15 -19.05 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 1.088 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.35 -71.38 2.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.807 ' HB3' HG22 ' A' ' 30' ' ' VAL . 8.3 t-20 -59.54 -155.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -112.93 -7.74 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.807 HG22 ' HB3' ' A' ' 28' ' ' ASN . 0.5 OUTLIER -48.29 100.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.509 HG21 ' CG ' ' A' ' 23' ' ' ARG . 55.8 t -154.64 86.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.56 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 62.3 p -114.4 99.55 7.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.401 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.73 HD13 ' CG ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -96.17 166.25 11.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.586 ' CD2' ' C ' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -77.41 0.47 22.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.658 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.73 ' CG ' HD13 ' A' ' 33' ' ' LEU . 3.7 m-20 -38.79 -31.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' HIS . 13.8 p -86.35 47.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -54.31 -19.0 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.968 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -5.44 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.264 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.83 -171.52 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -101.8 161.85 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.177 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.637 HG22 HD11 ' A' ' 44' ' ' LEU . 11.3 p -65.25 -11.86 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.177 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.441 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 12.6 t -57.41 -26.99 61.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.555 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -55.09 -53.28 57.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.096 HD23 ' CD2' ' A' ' 7' ' ' PHE . 2.5 pp -75.89 -22.94 55.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.723 ' N ' HD12 ' A' ' 44' ' ' LEU . 58.8 t30 -64.07 -30.76 71.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.19 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 6.6 m-20 -70.16 -37.77 75.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.666 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.83 147.93 22.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -107.87 36.28 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.252 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.804 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -154.66 113.61 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.9 mm? -139.75 164.01 31.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.812 HG21 ' HH2' ' A' ' 159' ' ' TRP . 2.7 mp -121.43 138.91 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.794 HD12 ' CZ ' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -119.73 165.58 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.197 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.82 -68.54 0.77 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 m -137.13 153.94 75.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.29 35.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.3 p -76.52 171.96 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -112.6 80.6 1.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -143.14 96.32 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.363 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 60' ' ' GLY . 17.8 mt -93.64 161.09 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' N ' ' CG2' ' A' ' 59' ' ' ILE . . . 156.83 142.9 3.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.475 ' O ' HD12 ' A' ' 62' ' ' LEU . 1.5 pt-20 -111.86 -3.18 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.79 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -166.15 -77.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.254 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -107.09 120.82 43.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.26 -58.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.67 117.57 9.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.6 m0 -99.24 -64.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 108.031 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.46 174.08 15.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.5 -175.4 14.5 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -147.3 68.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.645 0.85 . . . . 0.0 109.256 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.435 ' CG ' ' O ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER 179.96 157.91 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.178 . . . . 0.0 111.023 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.5 m -126.95 83.62 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -104.34 163.48 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.972 HD13 ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -51.74 -27.26 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.89 -22.05 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.41 -51.48 5.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.86 HG21 HD11 ' A' ' 44' ' ' LEU . 86.3 t -40.41 153.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 109.295 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -84.61 50.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.972 ' CE2' HD13 ' A' ' 73' ' ' LEU . 2.2 m-30 -51.92 139.45 22.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -137.14 128.29 27.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 37.68 70.54 0.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.852 ' CD ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -129.85 170.91 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.251 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -102.51 134.41 45.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.573 1.17 . . . . 0.0 109.296 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.852 HG23 ' CD ' ' A' ' 81' ' ' LYS . 7.0 t -135.29 114.68 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.733 ' O ' HG23 ' A' ' 51' ' ' ILE . . . -102.15 123.21 45.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.794 ' CZ ' HD12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -97.07 154.98 17.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -37.78 -45.59 0.84 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 118' ' ' GLY . . . 122.18 -122.72 5.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.9 p -119.32 173.91 6.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 110.404 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.62 -61.03 0.04 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -179.94 79.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 0.729 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -173.93 166.62 4.35 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.7 tp -146.46 124.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.42 81.32 0.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.495 ' O ' ' CD1' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -45.73 130.61 9.23 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.473 0.749 . . . . 0.0 111.063 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -172.52 145.61 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.67 125.48 21.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.361 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.99 -67.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -179.98 -47.38 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.94 91.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.77 145.15 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.97 104.99 12.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.1 tt -173.78 122.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.97 -179.01 39.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.419 1.075 . . . . 0.0 110.982 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.72 134.68 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.89 -49.81 48.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -44.86 117.85 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -179.86 -50.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 112' ' ' ARG . 16.5 mtmt -150.69 166.87 29.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' A' ' 109' ' ' ILE . 1.0 OUTLIER -64.83 -47.11 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.746 ' HB2' HG21 ' A' ' 116' ' ' THR . 99.6 p -48.23 -45.71 34.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -86.1 -18.8 31.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.421 ' CB ' ' HA ' ' A' ' 109' ' ' ILE . 0.4 OUTLIER -58.98 -56.6 20.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.233 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . 178.21 111.81 0.31 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.35 -163.13 27.54 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 150.39 51.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 0.805 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.746 HG21 ' HB2' ' A' ' 110' ' ' SER . 17.9 p -126.71 131.76 51.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.406 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.756 HG11 ' CB ' ' A' ' 166' ' ' GLU . 12.4 m -115.74 156.94 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.406 ' O ' ' HA2' ' A' ' 87' ' ' GLY . . . -172.51 -45.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -78.69 162.82 25.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.447 ' CE3' HG23 ' A' ' 122' ' ' THR . 2.3 p-90 -123.93 125.77 45.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.039 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.7 m -132.67 75.91 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.038 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.447 HG23 ' CE3' ' A' ' 120' ' ' TRP . 72.7 p -54.5 163.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.354 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.1 -46.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -150.41 121.69 1.29 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -124.92 28.23 6.51 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.567 0.804 . . . . 0.0 110.986 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -90.9 60.34 4.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.374 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -115.04 -55.59 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 65.7 95.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 -101.99 171.87 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.4 83.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.063 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -82.49 78.05 9.18 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -54.8 110.4 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.6 tp -143.35 141.54 30.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.4 114.35 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.543 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -159.67 -66.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.181 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 132.03 163.71 10.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.577 1.173 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.16 123.03 22.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 0.73 . . . . 0.0 109.289 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -153.71 104.81 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 34.6 m -88.2 156.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 178.65 -169.47 41.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.71 178.32 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -171.85 126.72 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.1 tp -73.75 113.38 10.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -84.24 140.05 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -51.03 -52.32 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.362 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.8 148.72 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.8 -53.97 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -38.97 156.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.8 p -107.56 174.86 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.99 173.29 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.552 HD13 ' NH1' ' A' ' 155' ' ' ARG . 1.6 mp -72.13 176.09 5.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.223 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 5.9 t -50.69 175.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.616 1.197 . . . . 0.0 110.452 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.34 -29.39 20.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -91.73 20.8 5.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.552 ' NH1' HD13 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -64.27 -54.34 34.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 1.031 HD13 HG23 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -52.24 -45.03 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.501 ' HG2' ' CD ' ' A' ' 25' ' ' GLU . 15.5 mtpt -61.19 -30.96 70.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.24 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -70.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 110.085 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.901 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 30.1 t90 -42.99 -52.3 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 108.076 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.955 HG21 ' CB ' ' A' ' 25' ' ' GLU . 45.4 t -51.62 -51.73 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.299 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.42 63.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -67.03 -48.18 69.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.901 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.4 OUTLIER -63.03 -53.6 51.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.472 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -59.02 -31.26 68.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -68.27 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.955 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.756 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.1 OUTLIER -60.66 -56.16 24.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 1.251 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.6 m-30 -37.41 -58.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 176.63 73.98 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 169' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.508 ' HB3' HG11 ' A' ' 30' ' ' VAL . 5.0 mtpp -94.76 148.03 22.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.668 ' N ' HG12 ' A' ' 30' ' ' VAL . 10.0 tttp -174.93 55.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -73.21 135.59 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.201 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 1.002 ' C ' HD13 ' A' ' 6' ' ' LEU . . . -139.1 166.47 25.43 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -114.6 116.72 29.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.589 0.817 . . . . 0.0 109.287 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.02 ' CD2' HD23 ' A' ' 44' ' ' LEU . 5.9 m-85 -119.15 114.71 22.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -123.81 179.91 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.076 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.15 -50.6 4.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.16 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -134.78 142.03 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.404 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -78.8 149.89 32.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 11' ' ' GLN . 1.2 t -179.99 131.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.11 -164.21 26.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.445 1.091 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.93 -164.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.256 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.6 p -49.19 -60.1 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.423 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.3 mm-40 -83.62 106.19 15.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 110.319 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLU . 67.3 m -39.35 121.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.387 1.054 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.98 ' O ' HG22 ' A' ' 22' ' ' ILE . 11.9 m -55.35 -36.64 41.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.7 -31.23 25.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -47.53 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.777 HG21 HG21 ' A' ' 156' ' ' ILE . 2.8 mp -59.16 -56.38 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.98 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.2 tp -54.91 -39.55 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.726 ' CD ' HG11 ' A' ' 31' ' ' VAL . 16.0 ttp180 -59.72 -54.26 48.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 110.223 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.25 -18.31 64.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.903 ' HB3' HG21 ' A' ' 160' ' ' VAL . 1.2 mm-40 -77.9 -50.02 13.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 22' ' ' ILE . 3.1 m-85 -53.63 -53.42 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . 93.54 -73.39 1.23 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.578 1.173 . . . . 0.0 111.095 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.952 ' HB3' HG22 ' A' ' 30' ' ' VAL . 2.4 m-20 -38.64 152.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 0.718 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -48.04 -26.38 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 28' ' ' ASN . 4.5 m -48.26 101.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.726 HG11 ' CD ' ' A' ' 23' ' ' ARG . 73.1 t -153.65 81.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.853 ' C ' HD23 ' A' ' 33' ' ' LEU . 17.7 p -125.69 164.67 20.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.466 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.853 HD23 ' C ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -165.1 168.12 17.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.511 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 1.4 p-80 -63.06 -13.43 35.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HB2' HD12 ' A' ' 33' ' ' LEU . 6.8 t70 -39.97 -30.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.875 HG21 ' OD2' ' A' ' 43' ' ' ASP . 30.8 m -80.55 53.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -69.69 -7.45 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -71.08 -27.15 63.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.92 -171.61 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -105.09 -170.42 1.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.784 HG12 ' C ' ' A' ' 71' ' ' SER . 10.2 m -65.3 -11.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.179 . . . . 0.0 109.26 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.6 t -61.25 -28.17 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.354 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.875 ' OD2' HG21 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -55.16 -53.67 53.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.02 HD23 ' CD2' ' A' ' 7' ' ' PHE . 3.8 pp -74.82 -40.12 61.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.915 ' N ' HD12 ' A' ' 44' ' ' LEU . 59.9 t30 -47.41 -31.16 3.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.385 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.479 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -67.78 -42.65 81.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.646 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -98.29 126.42 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 4.3 pm0 -86.36 17.87 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.856 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -130.02 111.01 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 110.942 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.856 HD22 ' O ' ' A' ' 49' ' ' TYR . 4.1 mm? -138.12 157.63 45.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.735 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.7 mp -128.14 152.57 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mt -124.98 117.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.566 ' HA2' ' CD1' ' A' ' 86' ' ' PHE . . . -139.33 76.66 0.34 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 m -175.63 154.65 1.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' C ' ' CG2' ' A' ' 56' ' ' THR . 18.2 Cg_endo -74.99 92.99 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 55' ' ' PRO . 40.2 p -149.44 80.82 1.4 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.573 1.171 . . . . 0.0 110.388 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.78 153.15 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -148.01 168.18 22.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.415 1.072 . . . . 0.0 109.359 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.2 tp -127.27 133.33 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.62 159.47 9.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.092 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.88 3.71 32.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 0.811 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -122.82 -176.64 3.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.254 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -169.49 170.89 8.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.37 72.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.614 1.196 . . . . 0.0 110.019 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -139.49 179.22 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.22 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.437 ' O ' ' CG ' ' A' ' 67' ' ' GLU . 28.0 p90 -138.06 145.85 42.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.055 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 66' ' ' TRP . 12.9 mt-10 -160.43 177.69 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.49 ' H ' HD23 ' A' ' 69' ' ' LEU . . . -149.36 75.92 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 68' ' ' GLY . 0.5 OUTLIER -176.95 142.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -155.3 47.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.614 1.196 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.784 ' C ' HG12 ' A' ' 41' ' ' VAL . 2.1 p -138.76 40.36 2.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.405 ' C ' ' N ' ' A' ' 74' ' ' ASP . 4.3 tt0 -105.05 153.64 21.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.802 HD22 ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -44.77 -27.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.602 ' H ' HD13 ' A' ' 73' ' ' LEU . 2.5 t70 -47.82 -24.82 1.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.55 -57.84 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.404 HG21 HD11 ' A' ' 44' ' ' LEU . 84.8 t -48.5 143.41 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 2.1 m-20 -93.01 63.81 3.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.566 1.167 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.552 ' CZ ' HD13 ' A' ' 44' ' ' LEU . 2.2 m-30 -48.66 93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.076 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -95.09 104.51 16.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.37 66.07 2.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.484 ' CE ' ' HA ' ' A' ' 78' ' ' PHE . 8.2 mttm -135.99 162.86 31.68 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.528 0.781 . . . . 0.0 109.208 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.921 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -99.9 128.0 46.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -130.42 134.33 62.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.735 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -102.59 152.91 20.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -131.7 136.1 47.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.592 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 4.3 p90 -88.38 35.84 0.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.24 175.1 3.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.6 m -133.95 144.84 49.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.93 80.8 1.06 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -168.36 89.04 0.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.764 . . . . 0.0 109.262 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.52 -85.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.9 mt -110.82 148.29 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.587 ' O ' ' CD2' ' A' ' 94' ' ' TYR . . . 155.16 123.9 0.87 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 93' ' ' GLY . 4.9 m-85 -173.67 73.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 111.059 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 49.78 79.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -137.56 104.89 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.02 83.3 1.74 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -178.1 149.05 0.53 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -158.64 154.07 25.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.98 -64.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.2 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -125.47 133.65 52.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 pp -126.32 128.26 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.66 104.85 1.07 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.3 tp -173.88 136.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 mt -150.52 -69.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.36 117.93 14.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -179.95 -72.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.397 1.06 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.5 -167.9 2.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.63 HG12 HD23 ' A' ' 73' ' ' LEU . 1.9 mp -65.55 -38.51 82.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.606 1.192 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.401 ' HB3' ' CG2' ' A' ' 116' ' ' THR . 2.0 m -59.45 -70.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -53.41 -19.99 4.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -49.33 60.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.66 129.42 1.04 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 129.91 -134.18 7.76 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 146.44 30.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.401 ' CG2' ' HB3' ' A' ' 110' ' ' SER . 0.0 OUTLIER -125.27 122.47 37.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.701 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 11.6 p -107.27 129.75 60.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' A' ' 119' ' ' TYR . . . 164.52 -88.03 0.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 118' ' ' GLY . 28.8 m-85 -169.47 112.05 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 0.783 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -140.41 138.4 34.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 108.047 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.26 138.21 58.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 109.987 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.8 p -57.65 -51.51 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -107.3 146.59 31.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -50.95 -74.96 0.24 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.94 122.87 34.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 110.982 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.86 118.38 16.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.95 117.44 25.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -171.22 163.44 7.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.387 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -87.45 155.33 20.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 86.1 p -123.16 172.83 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -152.71 142.53 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.37 179.32 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.92 60.51 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.9 57.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.229 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 60.0 171.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.42 -173.77 44.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 111.078 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -117.44 -56.77 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -40.24 153.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 3.2 m -92.94 -43.37 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.341 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 56.2 165.13 0.04 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.601 1.188 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.54 173.8 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.626 0.839 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -166.67 130.33 1.97 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.4 mp -106.78 -177.31 3.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -107.99 105.82 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -60.28 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.203 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.17 140.52 20.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -86.48 142.1 28.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.03 166.96 12.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 48.9 m -153.55 -175.11 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -163.9 166.78 21.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 152' ' ' THR . 0.1 OUTLIER -179.92 129.32 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 151' ' ' LEU . 2.3 p -153.86 160.86 42.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.39 1.056 . . . . 0.0 110.372 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 156' ' ' ILE . 7.7 t0 -87.07 -28.06 22.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.466 ' CB ' ' HD3' ' A' ' 157' ' ' LYS . 29.9 m-20 -95.83 22.56 7.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -51.52 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.777 HG21 HG21 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -51.91 -40.33 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.375 1.047 . . . . 0.0 109.337 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.466 ' HD3' ' CB ' ' A' ' 154' ' ' ASP . 2.6 pttp -64.13 -35.17 79.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 161' ' ' ALA . 48.0 t -70.94 -61.21 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.649 ' CH2' HG21 ' A' ' 51' ' ' ILE . 24.1 t90 -51.8 -56.08 16.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.903 HG21 ' HB3' ' A' ' 25' ' ' GLU . 61.1 t -50.84 -38.17 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -67.95 -31.5 71.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.36 -55.09 11.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 159' ' ' TRP . 0.1 OUTLIER -63.64 -54.26 38.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.472 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -55.18 -33.12 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 2.3 t -63.47 -76.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.368 1.042 . . . . 0.0 110.094 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.14 -48.51 12.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.921 ' CE1' HD13 ' A' ' 82' ' ' LEU . 18.7 m-30 -61.33 -27.31 68.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 165' ' ' SER . . . 142.86 80.04 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 165' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.96 141.2 52.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.759 ' HA ' HG12 ' A' ' 30' ' ' VAL . 5.7 tptt -176.97 62.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.63 1.206 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.781 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -76.75 150.35 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.993 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -139.94 173.43 22.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.153 . . . . 0.0 110.991 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -126.09 116.48 21.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.974 ' CD2' HD23 ' A' ' 44' ' ' LEU . 9.9 m-85 -128.25 116.51 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.586 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -123.34 179.87 4.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.7 2.94 21.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' GLN . 10.1 t -148.76 124.36 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 0.822 . . . . 0.0 110.363 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -38.94 157.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.573 1.17 . . . . 0.0 110.406 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 13' ' ' GLY . 88.2 m -157.38 174.31 15.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.429 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.497 ' H ' HG22 ' A' ' 12' ' ' THR . . . 154.62 167.33 16.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -91.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.703 ' O ' HG22 ' A' ' 15' ' ' THR . 3.2 m -162.91 28.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.404 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' CG ' ' N ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -168.96 -97.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -156.97 75.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.077 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.946 ' O ' HG22 ' A' ' 22' ' ' ILE . 9.4 p -63.18 -34.42 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.458 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -54.28 -31.59 54.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.21 -45.77 54.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.693 ' CG2' HD13 ' A' ' 156' ' ' ILE . 2.6 mp -60.06 -54.15 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.946 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.6 tp -59.54 -34.22 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.756 ' HB2' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -63.03 -53.98 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -28.86 69.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.759 ' HB3' HG21 ' A' ' 160' ' ' VAL . 4.9 mm-40 -68.49 -49.67 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.781 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.6 OUTLIER -48.39 -22.41 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.63 -45.84 1.34 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.384 1.052 . . . . 0.0 111.052 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.542 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.7 m-20 -102.81 -171.92 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -91.7 -5.77 53.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.379 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.759 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -47.8 99.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.756 HG21 ' HB2' ' A' ' 23' ' ' ARG . 2.5 t -155.64 81.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.619 1.199 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.521 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 72.1 p -107.86 99.84 9.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.625 HD12 ' OD1' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -95.06 167.11 11.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.457 1.098 . . . . 0.0 109.199 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.526 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.38 -3.96 30.49 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.529 1.143 . . . . 0.0 109.629 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.625 ' OD1' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.04 -30.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.2 m -85.81 48.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.1 t -57.13 -17.19 9.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -5.55 32.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.26 -171.49 1.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -106.48 174.38 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.699 HG12 ' C ' ' A' ' 71' ' ' SER . 3.2 m -65.19 -12.01 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.447 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 5.9 t -54.62 -30.63 55.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.6 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 1.3 m-20 -56.03 -53.48 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.974 HD23 ' CD2' ' A' ' 7' ' ' PHE . 3.7 pp -77.01 -23.99 52.17 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.567 1.167 . . . . 0.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.624 ' N ' HD12 ' A' ' 44' ' ' LEU . 51.8 t30 -60.44 -31.05 70.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 5.4 m-20 -74.59 -44.2 51.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -105.37 113.18 26.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.941 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.451 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.72 3.84 10.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.19 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -106.48 112.99 26.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 110.956 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.625 HD23 ' HE2' ' A' ' 78' ' ' PHE . 2.1 mm? -134.11 164.68 26.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.192 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.993 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.1 mp -128.71 145.11 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.732 HG22 ' O ' ' A' ' 7' ' ' PHE . 2.7 pp -136.94 156.12 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.384 1.052 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.15 77.32 0.39 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.4 p -167.3 152.44 7.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.6 39.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 56' ' ' THR . 9.2 t -144.09 110.91 5.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 0.0 110.434 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -71.63 161.85 30.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.615 1.197 . . . . 0.0 107.974 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -88.61 154.47 20.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.9 tp -84.13 151.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.34 -57.08 21.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.597 1.186 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -153.77 -58.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 110.249 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.96 166.42 31.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.461 ' O ' ' OE1' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -175.57 171.89 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.593 1.183 . . . . 0.0 110.291 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 p -102.38 137.79 40.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.4 138.27 51.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.418 1.074 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -88.64 164.76 15.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.005 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.6 156.06 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.85 178.98 53.13 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.597 1.186 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.586 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 1.0 OUTLIER -92.26 -67.52 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 0.729 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 4.1 m-85 -179.95 -36.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.699 ' C ' HG12 ' A' ' 41' ' ' VAL . 2.3 p -168.97 44.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.21 165.14 11.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.226 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.782 HD12 HG21 ' A' ' 109' ' ' ILE . 1.7 pt? -51.31 -27.14 8.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.877 ' HA ' HD13 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -61.15 -21.19 63.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.43 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.29 -54.97 6.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.648 HG21 ' CE1' ' A' ' 78' ' ' PHE . 35.3 m -66.08 147.23 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.2 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.55 59.24 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.648 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.6 m-30 -51.85 137.51 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.3 m-80 -132.9 143.29 49.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 38.6 29.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.596 ' NZ ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -75.66 171.26 14.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 0.717 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.03 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -117.46 138.53 51.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.596 HG13 ' NZ ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -135.95 130.59 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.78 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.28 121.15 41.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 109.228 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -96.96 119.73 35.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.484 ' HA ' ' CE2' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -53.9 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -174.78 119.91 0.75 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.3 p -65.46 -170.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 0.742 . . . . 0.0 110.417 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.01 -111.59 1.29 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -139.54 -174.07 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -126.09 -60.51 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.7 pt -40.54 138.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.08 164.19 54.38 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.4 1.063 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.55 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 15.6 t80 -171.94 -42.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.41 0.712 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 94' ' ' TYR . . . 173.22 177.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.61 93.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.0 t30 172.67 130.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.436 1.085 . . . . 0.0 109.209 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -177.47 167.07 2.27 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -171.77 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -105.86 168.56 9.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.03 -174.18 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.21 -174.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.549 ' O ' HD22 ' A' ' 105' ' ' LEU . . . 136.03 168.67 11.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.443 1.089 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.796 ' C ' HD22 ' A' ' 105' ' ' LEU . 3.2 tt -63.28 167.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.345 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.796 HD22 ' C ' ' A' ' 104' ' ' ILE . 3.0 mm? -144.78 81.5 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 112' ' ' ARG . 1.6 tm-20 -175.45 98.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 63' ' ' GLN . 1.1 mm-40 -179.97 -88.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -116.39 121.47 42.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.409 1.068 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.877 HD13 ' HA ' ' A' ' 74' ' ' ASP . 3.4 mp -51.71 -32.14 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 m -39.82 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.604 1.19 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -92.51 -41.88 10.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.609 1.193 . . . . 0.0 110.228 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.645 ' HE ' HD13 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -58.47 -47.99 82.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -36.63 -48.63 1.3 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 179.83 -119.58 0.64 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.17 152.37 25.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.8 m -122.83 122.44 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.366 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 167' ' ' PHE . 14.5 p -93.96 131.14 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 163.79 -88.7 0.1 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -143.09 106.88 4.64 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.377 0.692 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.414 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 9.1 p-90 -174.75 118.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 65.1 p -174.9 137.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 0.0 109.922 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.6 p -140.46 -50.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -136.0 131.42 34.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -102.35 145.79 16.64 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.51 177.8 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.65 -62.94 1.4 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.637 1.21 . . . . 0.0 109.306 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -62.78 91.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.89 167.42 5.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.09 150.15 52.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.223 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.2 t -170.12 159.96 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.999 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -67.65 149.57 49.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -113.34 148.21 36.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.47 ' O ' ' ND2' ' A' ' 135' ' ' ASN . 0.5 OUTLIER -141.65 166.46 24.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.72 143.05 32.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 133' ' ' LEU . 62.1 m-80 -153.5 174.48 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 137' ' ' LYS . . . 102.62 94.22 2.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.123 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 136' ' ' GLY . 14.6 mttm -169.51 67.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -178.11 165.77 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 139' ' ' VAL . 8.6 p -166.63 112.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 169.94 173.53 37.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.4 -176.67 5.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 0.0 109.304 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.43 145.42 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.445 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.92 153.13 19.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -62.74 173.94 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -50.43 73.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.19 127.63 10.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 41.1 p-10 -92.24 -177.01 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -152.03 -174.66 4.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.5 -171.13 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -168.18 -173.9 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 mp -133.7 -178.07 4.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.92 148.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 155' ' ' ARG . 25.8 t0 -54.94 -59.84 4.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.442 ' OD1' ' CD ' ' A' ' 157' ' ' LYS . 9.3 m-20 -66.53 73.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.38 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 153' ' ' ASP . 0.4 OUTLIER -75.82 -56.49 4.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.693 HD13 ' CG2' ' A' ' 21' ' ' ILE . 36.1 pt -69.37 -42.46 81.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.442 ' CD ' ' OD1' ' A' ' 154' ' ' ASP . 4.9 mtpt -57.41 -30.97 65.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.8 t -75.97 -71.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.868 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 39.5 t90 -42.08 -54.08 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.759 HG21 ' HB3' ' A' ' 25' ' ' GLU . 75.7 t -51.3 -51.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -54.99 -32.45 61.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.607 1.192 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.518 ' HG3' HG22 ' A' ' 117' ' ' VAL . 32.7 tp60 -69.3 -47.85 63.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.238 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.868 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.7 OUTLIER -59.67 -53.77 54.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -36.64 75.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.462 ' HB2' HG23 ' A' ' 117' ' ' VAL . 5.9 tp10 -60.43 -57.52 12.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 1.03 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.7 m-30 -39.95 -46.38 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.34 -68.79 1.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 169' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HE3' ' NZ ' ' A' ' 164' ' ' LYS . 1.5 mtpm? -93.76 148.11 22.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.728 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -175.66 65.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.235 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.946 HD13 ' CE2' ' A' ' 26' ' ' PHE . 1.3 mp -75.63 149.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.64 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -138.83 -178.78 16.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.64 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -139.32 116.92 11.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.25 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.22 ' CE2' HD23 ' A' ' 44' ' ' LEU . 32.1 m-85 -132.12 121.69 24.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.64 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -129.05 179.89 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 111.052 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.43 -140.71 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.43 1.081 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -136.37 12.33 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 0.745 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -108.14 -21.96 12.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 p -58.6 -101.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.589 1.181 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.9 142.14 7.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.155 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -143.97 162.49 36.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 16' ' ' GLU . 67.2 p -145.23 -76.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' N ' ' OG1' ' A' ' 15' ' ' THR . 0.3 OUTLIER -39.16 158.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.2 m -87.91 43.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.058 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.987 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.9 m -55.73 -35.15 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.59 -28.27 13.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.12 -46.48 28.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.963 HG21 HG21 ' A' ' 156' ' ' ILE . 2.7 mp -61.49 -56.42 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.987 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.1 tp -54.72 -43.89 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.515 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -56.22 -53.93 51.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -63.89 -23.73 67.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.882 ' CB ' HG21 ' A' ' 160' ' ' VAL . 51.4 mm-40 -77.54 -29.67 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.946 ' CE2' HD13 ' A' ' 4' ' ' ILE . 1.5 m-85 -75.17 0.48 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.88 47.05 9.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.389 1.055 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.691 ' HB3' HG22 ' A' ' 30' ' ' VAL . 20.2 m-20 -172.84 -174.2 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.596 0.821 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -101.87 -12.6 18.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -48.35 100.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG21 ' CG ' ' A' ' 23' ' ' ARG . 53.3 t -155.12 84.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 0.0 109.397 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.53 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 66.6 p -113.85 99.53 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.361 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.962 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -108.07 165.49 11.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.524 ' CD2' ' N ' ' A' ' 35' ' ' ASP . 0.1 OUTLIER -58.76 -16.62 17.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.695 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.962 ' HB2' HD13 ' A' ' 33' ' ' LEU . 7.8 t70 -39.02 -31.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 33' ' ' LEU . 6.4 m -83.78 50.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.419 1.075 . . . . 0.0 109.374 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -59.12 -15.19 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.092 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.66 -6.64 38.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.395 1.059 . . . . 0.0 110.255 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.63 -171.45 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.372 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -109.89 177.18 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.578 ' CG2' HG13 ' A' ' 76' ' ' VAL . 2.2 p -65.29 -11.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.451 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 39.7 p -56.29 -29.07 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.58 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -52.51 -54.35 33.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.22 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.2 pp -77.68 -34.75 52.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.727 ' N ' HD12 ' A' ' 44' ' ' LEU . 42.8 t30 -47.47 -31.02 3.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.516 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 67.0 t0 -84.41 -35.28 23.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -102.29 110.4 22.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.974 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -84.92 47.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.239 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.578 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -155.83 113.46 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.906 HD11 ' HB2' ' A' ' 44' ' ' LEU . 3.3 mt -146.3 164.85 31.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.754 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 3.1 mt -117.0 145.85 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 7' ' ' PHE . 11.9 pt -129.06 -176.67 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.79 32.31 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.1 p -154.22 152.43 26.42 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.34 27.26 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.779 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 p -140.79 137.05 33.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.423 ' O ' HG22 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -174.22 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -40.89 111.89 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.22 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.6 tt -173.73 35.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.41 154.21 16.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -179.92 144.35 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.323 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.91 -69.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -49.32 132.85 20.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.382 1.051 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.0 t -55.78 139.59 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.07 174.39 3.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -131.67 134.13 45.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -172.67 164.08 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.61 146.17 5.76 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.578 1.173 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.8 mt -131.28 -164.86 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.36 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 13.0 p90 -175.82 101.54 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 99.1 p -179.99 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 74' ' ' ASP . 27.9 mt-10 -103.76 143.05 33.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.938 HD21 HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -46.1 -26.71 0.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.587 ' H ' HD13 ' A' ' 73' ' ' LEU . 21.4 t70 -53.13 -21.42 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.422 ' HB3' HG11 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -76.97 -55.01 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.696 HG21 ' CE1' ' A' ' 78' ' ' PHE . 32.4 m -70.5 154.16 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.86 65.55 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' A' ' 76' ' ' VAL . 2.3 m-30 -51.06 125.67 14.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -137.73 98.08 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 88.37 64.65 1.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.762 ' NZ ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -132.24 171.25 13.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 0.787 . . . . 0.0 109.23 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.992 ' O ' HD12 ' A' ' 82' ' ' LEU . 2.1 pp -101.45 126.25 48.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.762 HG13 ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -125.88 128.55 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.754 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -101.98 162.72 12.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.78 116.92 17.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -81.01 102.51 10.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.7 -138.08 38.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.3 p -127.61 -54.63 1.33 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 0.814 . . . . 0.0 110.381 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.39 -176.55 16.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.18 96.14 5.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.757 . . . . 0.0 109.241 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -147.34 115.4 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.754 ' O ' HD12 ' A' ' 92' ' ' ILE . 2.3 pp -66.97 96.09 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.71 -147.51 3.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -159.43 171.39 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 111.051 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.55 -61.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -98.08 118.85 35.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -163.78 106.04 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -175.45 167.4 3.3 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -158.78 -59.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.597 1.186 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -110.47 164.06 13.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.04 120.11 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 pt -88.17 154.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -95.51 -161.21 33.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -128.12 -54.56 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.532 0.784 . . . . 0.0 109.265 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.48 ' N ' HG23 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -64.07 101.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -162.24 151.04 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.271 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 69.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 22.0 mttt -118.37 111.88 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.938 HD13 HD21 ' A' ' 73' ' ' LEU . 2.8 mp -51.61 -32.2 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.16 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -92.31 -41.8 10.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -58.53 -47.93 82.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -36.63 -52.27 1.42 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.45 -118.24 0.74 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.18 151.06 29.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.1 m -108.9 147.35 32.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.31 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.775 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 8.1 p -134.54 135.72 53.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 108.96 24.31 6.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.165 . . . . 0.0 110.999 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -80.08 155.58 27.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -178.64 98.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 107.982 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.552 ' O ' HG23 ' A' ' 122' ' ' THR . 7.5 t -88.67 124.18 33.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 121' ' ' SER . 17.2 p -157.52 90.86 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.08 -67.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.01 -85.48 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -38.32 119.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -109.32 101.09 10.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -94.4 151.76 19.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -178.41 149.94 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.86 150.89 28.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.2 t -173.91 93.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -81.8 72.6 8.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 109.24 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -173.79 151.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.487 HD23 ' H ' ' A' ' 133' ' ' LEU . 0.6 OUTLIER -81.03 63.37 5.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -168.54 98.59 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -135.13 142.44 46.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -170.36 86.82 0.09 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.52 1.137 . . . . 0.0 110.939 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -91.87 170.6 9.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.76 . . . . 0.0 109.282 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -118.64 163.22 17.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 140' ' ' GLY . 8.0 p -141.41 165.41 18.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.411 ' N ' HG22 ' A' ' 139' ' ' VAL . . . -125.34 165.76 18.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.566 1.167 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.19 160.46 13.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 0.807 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -176.21 156.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.31 115.78 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -110.9 101.27 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.56 -60.15 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -44.89 103.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -56.4 119.84 6.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.28 118.1 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.9 p -130.02 70.79 1.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -162.76 162.17 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.18 157.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 14.6 t -113.28 162.23 16.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -92.09 -20.79 20.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -92.47 35.65 1.01 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.04 -56.67 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.963 HG21 HG21 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -52.25 -46.63 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.243 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -64.0 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.206 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 -68.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.944 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.858 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 30.2 t90 -46.81 -53.93 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.882 HG21 ' CB ' ' A' ' 25' ' ' GLU . 48.2 t -51.35 -51.64 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -54.48 -31.8 56.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -47.37 57.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.336 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.858 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -61.04 -53.41 57.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.525 ' NZ ' ' HE3' ' A' ' 2' ' ' LYS . 5.4 mmmt -64.55 -29.78 70.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -57.95 -74.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.636 1.21 . . . . 0.0 109.979 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -53.65 -53.68 48.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.949 ' CZ ' HD13 ' A' ' 82' ' ' LEU . 15.7 m-30 -53.86 -22.7 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -81.07 -70.49 1.34 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 165' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.44 ' HB3' HG11 ' A' ' 30' ' ' VAL . 9.3 mptt -125.72 155.32 41.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.218 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.885 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -174.83 66.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.554 HD12 HG21 ' A' ' 30' ' ' VAL . 1.1 mp -74.24 147.55 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.97 ' C ' HD13 ' A' ' 6' ' ' LEU . . . -137.36 171.81 23.01 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.97 HD13 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -131.66 115.83 16.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.05 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.3 m-85 -124.5 122.54 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.721 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -127.96 179.81 5.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.18 -97.3 1.05 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.446 1.092 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 11' ' ' GLN . 96.4 m -55.69 173.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 0.74 . . . . 0.0 110.423 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.695 ' O ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER -132.73 130.52 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 11' ' ' GLN . 2.4 p -159.93 158.35 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.2 161.66 10.34 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.374 1.046 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -174.97 -55.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 p -54.6 -168.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -38.96 139.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 21.9 m -67.67 75.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.976 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 m -55.34 -31.7 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 22' ' ' ILE . . . -53.22 -49.68 66.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.645 1.215 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -34.34 78.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -60.1 -56.88 14.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 19' ' ' ALA . 7.0 tp -54.77 -45.08 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.798 HH21 ' CD2' ' A' ' 33' ' ' LEU . 78.5 mtt180 -50.12 -44.4 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.96 -40.07 75.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.795 ' CG ' HD12 ' A' ' 156' ' ' ILE . 0.2 OUTLIER -57.37 -33.95 68.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.353 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 1.9 m-85 -72.05 -3.43 22.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . 37.76 86.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.174 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.79 ' HB3' HG22 ' A' ' 30' ' ' VAL . 3.2 m-20 156.44 -171.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.791 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -99.77 -18.22 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.885 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -51.23 100.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 29' ' ' ASP . 26.8 m -154.71 81.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.571 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 47.0 p -115.68 99.48 7.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.818 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -97.21 166.4 11.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.721 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -67.63 -9.45 43.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.547 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.818 ' HB2' HD13 ' A' ' 33' ' ' LEU . 11.8 t70 -39.3 -30.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.401 1.063 . . . . 0.0 109.215 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.45 ' N ' ' C ' ' A' ' 34' ' ' HIS . 13.9 p -82.32 52.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.353 1.033 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -65.44 -10.62 35.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -5.61 33.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.271 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.59 -171.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.61 176.31 5.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.831 HG12 ' O ' ' A' ' 71' ' ' SER . 3.5 m -64.82 -12.23 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.413 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.452 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 6.2 t -56.39 -29.94 62.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.75 -53.39 58.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.407 1.067 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.05 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.7 pp -77.28 -23.14 51.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.412 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.59 ' N ' HD12 ' A' ' 44' ' ' LEU . 55.7 t30 -61.26 -32.03 71.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.1 -45.42 49.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.66 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -92.3 117.02 29.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 111.11 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.616 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 6.0 pm0 -85.25 33.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.852 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -141.42 112.18 7.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.852 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.7 mm? -141.08 161.22 38.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.389 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.69 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.8 mp -126.64 153.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.412 1.07 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 51' ' ' ILE . 3.9 mm -122.19 113.4 38.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.31 -91.35 0.27 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.441 1.088 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.4 95.25 4.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 -53.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.583 1.833 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -101.79 149.47 24.14 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.563 1.164 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -78.52 -68.94 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.038 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.11 128.82 47.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.1 tt -49.0 161.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.209 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.95 84.04 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.18 81.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.403 0.708 . . . . 0.0 110.345 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 tp -143.5 74.28 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.13 157.85 29.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 p -169.81 146.74 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.94 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -95.41 -51.64 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -159.25 76.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.28 111.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.18 121.77 1.2 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.23 131.61 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -158.91 164.03 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.177 . . . . 0.0 110.953 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.831 ' O ' HG12 ' A' ' 41' ' ' VAL . 3.2 m -156.27 51.86 0.53 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.558 1.161 . . . . 0.0 109.943 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 8' ' ' TYR . 3.1 tt0 -105.08 -174.52 2.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.609 1.193 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -65.7 -27.29 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.2 -22.57 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -88.92 -57.37 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.63 HG21 HD11 ' A' ' 44' ' ' LEU . 48.5 t -40.44 144.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.99 54.69 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 1.002 ' CD2' HD13 ' A' ' 73' ' ' LEU . 1.7 m-30 -49.36 130.17 19.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -137.84 119.97 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.61 65.04 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.565 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -128.77 170.73 12.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.818 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -106.15 135.1 48.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.474 ' CG1' ' HE3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -136.28 134.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.926 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -105.69 135.13 47.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 88' ' ' THR . 0.8 OUTLIER -115.75 115.07 25.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 111.013 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 159' ' ' TRP . 3.0 t80 -98.58 82.84 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.79 -124.22 1.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.477 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 53.2 m -76.8 163.9 26.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 110.419 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.14 41.15 1.31 Allowed Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -41.59 158.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 0.714 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -73.17 -61.23 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.3 tp -162.22 136.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -128.34 63.26 0.62 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -100.76 156.94 17.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.84 -61.41 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.35 147.06 38.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -112.21 144.25 41.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -170.11 152.6 4.31 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.27 150.09 2.67 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.348 1.03 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.58 160.43 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.622 HD13 ' H ' ' A' ' 102' ' ' ILE . 0.2 OUTLIER -131.92 178.99 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.386 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.449 ' O ' HG23 ' A' ' 104' ' ' ILE . . . 94.74 132.47 6.76 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER -154.86 85.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.333 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.29 116.09 19.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.33 152.32 14.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -173.53 -76.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.354 1.034 . . . . 0.0 110.337 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.2 OUTLIER -97.45 170.92 8.72 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 1.039 HG21 HD11 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -52.89 -32.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.42 ' OG ' HG21 ' A' ' 83' ' ' VAL . 11.5 m -72.15 -71.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.02 -18.76 5.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.231 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 5.2 ttm180 -76.21 -47.18 24.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.42 74.3 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 81' ' ' LYS . . . 159.78 167.07 19.88 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -106.06 146.38 30.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.387 0.698 . . . . 0.0 109.355 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -116.32 124.86 51.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.175 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.926 HG22 ' HA ' ' A' ' 84' ' ' ALA . 3.0 m -94.15 148.14 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -137.91 -157.17 7.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.42 1.075 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 159' ' ' TRP . 2.7 m-85 -104.85 163.72 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 110.963 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -133.76 63.72 1.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.29 -71.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.2 p -92.33 123.2 35.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -177.88 121.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -178.83 -106.32 0.2 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.85 115.34 14.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 0.731 . . . . 0.0 111.029 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.06 128.66 53.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -100.87 167.5 10.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -165.74 108.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -95.79 92.54 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.2 t -102.9 90.96 3.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.15 . . . . 0.0 109.96 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.67 141.04 13.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -130.93 144.57 51.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.03 -72.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.242 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.05 85.77 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.38 1.05 . . . . 0.0 110.31 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.74 176.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -174.68 163.79 34.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -136.76 81.47 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 0.799 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -159.47 153.83 23.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 13.7 p -165.06 143.0 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.577 1.173 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 115.44 95.46 2.0 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -164.25 61.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 109.382 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -149.51 133.22 16.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.37 89.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -110.53 94.8 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.28 -60.16 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -42.38 152.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -115.8 130.78 56.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 109.229 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -96.6 150.5 20.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 0.0 110.352 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.8 t -179.87 146.08 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.056 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -164.95 144.09 6.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 152' ' ' THR . 0.3 OUTLIER -89.55 175.36 7.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.42 ' N ' HD12 ' A' ' 151' ' ' LEU . 24.0 m -154.42 145.43 22.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.422 1.076 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -59.85 4.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.88 53.66 2.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -75.8 -44.33 41.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.344 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.843 ' O ' HG23 ' A' ' 160' ' ' VAL . 3.4 pt -52.48 -40.36 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.225 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 8.0 mttt -61.83 -30.98 71.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 161' ' ' ALA . 5.6 t -68.64 -60.22 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 37.9 t90 -54.44 -55.33 29.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.002 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 156' ' ' ILE . 59.0 t -51.55 -36.96 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -68.09 -31.87 71.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -68.33 -54.93 14.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.831 ' HB3' HG21 ' A' ' 117' ' ' VAL . 0.1 OUTLIER -64.36 -54.25 35.85 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.572 1.17 . . . . 0.0 109.225 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.536 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -54.71 -32.75 60.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.687 ' O ' HD23 ' A' ' 169' ' ' LEU . 2.4 t -64.31 -75.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.087 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.12 -54.72 12.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.744 ' CZ ' HD13 ' A' ' 82' ' ' LEU . 13.5 m-30 -49.34 -37.72 25.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 169' ' ' LEU . . . 150.3 79.25 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.432 1.083 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 165' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.66 137.01 52.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.371 1.044 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.787 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -176.16 69.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.607 1.192 . . . . 0.0 109.283 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.761 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.7 OUTLIER -80.16 148.13 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.877 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -137.64 175.3 21.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.575 HD13 HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -134.38 117.09 15.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.736 . . . . 0.0 109.254 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.14 ' CE2' HD23 ' A' ' 44' ' ' LEU . 9.8 m-85 -128.77 122.06 29.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -136.48 179.87 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.067 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.03 -14.43 26.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 11' ' ' GLN . 10.5 t -99.88 -153.96 0.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 110.389 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.545 ' OE1' ' CE2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -118.14 -157.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 110.321 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p -71.85 -162.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 110.404 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.82 -110.19 0.87 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HE3' HG23 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -40.59 153.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.5 p -58.12 -59.2 5.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.57 176.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 p -91.45 83.86 5.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.88 ' O ' HG22 ' A' ' 22' ' ' ILE . 13.1 p -55.29 -40.03 54.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -53.41 -30.57 40.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.54 -43.29 60.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.218 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.205 ' CG2' HD13 ' A' ' 156' ' ' ILE . 2.5 mp -63.29 -55.18 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.88 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.6 tp -59.12 -33.13 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' CB ' HG21 ' A' ' 31' ' ' VAL . 12.3 ttt-85 -65.11 -54.2 33.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -20.0 65.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.586 1.178 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 1.206 ' CG ' HD12 ' A' ' 156' ' ' ILE . 3.9 mm-40 -77.7 -49.35 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.761 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.7 OUTLIER -50.5 -20.93 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 111.003 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 -67.43 1.88 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.55 ' CB ' HG22 ' A' ' 30' ' ' VAL . 2.0 m120 -73.56 -172.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.44 -7.54 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.787 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -48.6 99.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 30' ' ' VAL . 17.0 t -156.4 84.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.566 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 72.8 p -114.72 99.22 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.972 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -112.9 163.05 15.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.598 1.186 . . . . 0.0 109.237 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.467 ' CD2' ' N ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -39.13 -30.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.566 1.167 . . . . 0.0 109.551 -179.836 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.972 ' HB2' HD13 ' A' ' 33' ' ' LEU . 7.6 t0 -39.21 -31.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 33' ' ' LEU . 16.9 m -82.01 52.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.3 t -63.78 -11.5 27.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.72 -6.25 35.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.74 126.92 37.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -169.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.511 HG23 HD21 ' A' ' 44' ' ' LEU . 7.6 p -65.61 -11.36 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.468 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 4.7 t -58.17 -26.54 62.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.606 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -55.82 -53.97 50.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.14 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.2 pp -76.35 -22.37 54.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 54.6 t30 -63.51 -30.44 71.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.235 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.468 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 12.3 m-20 -83.04 -40.69 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.652 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.59 115.75 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.482 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -85.77 43.63 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.993 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -154.39 112.67 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.993 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.0 mm? -139.43 165.54 26.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.877 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.1 mp -121.99 139.28 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.596 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 6.2 pt -130.53 -173.41 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.364 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . 167.0 41.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -135.89 163.91 47.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -178.82 4.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 t -107.73 -39.18 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.473 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -97.79 -72.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 107.975 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 169.15 -178.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mt -114.99 118.0 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.606 1.191 . . . . 0.0 109.364 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.71 84.72 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.93 129.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.795 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.39 93.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.368 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.31 -178.84 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.67 126.57 49.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.037 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.61 -176.68 3.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.545 ' CE2' ' OE1' ' A' ' 11' ' ' GLN . 11.0 m95 -125.7 -94.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 107.979 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.27 -176.7 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.0 -179.53 42.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.66 -173.34 3.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -140.5 71.35 1.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.592 1.182 . . . . 0.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.9 p -178.73 48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.035 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' HG3' HD13 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -105.39 -160.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.814 HD22 ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -53.85 -26.35 24.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.219 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.618 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -72.04 -21.4 61.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.64 -59.53 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.699 HG21 ' CE1' ' A' ' 78' ' ' PHE . 15.2 m -45.28 168.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.72 59.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.699 ' CE1' HG21 ' A' ' 76' ' ' VAL . 2.3 m-30 -61.64 121.88 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.108 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -138.29 95.52 3.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 93.1 64.94 1.08 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.6 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -133.53 170.86 14.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.033 HD13 ' CE2' ' A' ' 167' ' ' PHE . 2.1 pp -102.54 132.0 48.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.502 HG13 ' CE ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -128.16 118.41 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.865 ' O ' HG23 ' A' ' 51' ' ' ILE . . . -101.71 113.86 27.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.518 ' CD1' ' HA2' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -97.23 138.1 35.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.055 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' ILE . 9.8 p90 -127.5 27.63 5.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 86' ' ' PHE . . . -37.8 -79.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 53.8 m -124.34 -101.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.53 -152.88 23.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.61 100.62 7.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -124.26 143.22 50.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.347 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.7 mt -63.71 82.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLN . . . -176.22 162.19 30.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 111.056 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.74 95.01 4.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 62.2 156.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -86.59 -52.44 5.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 172.79 -39.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -55.63 113.44 1.46 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -98.51 161.97 13.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.241 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -155.18 86.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.59 -69.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.355 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 102' ' ' ILE . 1.2 tp -96.58 98.96 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.418 ' O ' HD13 ' A' ' 104' ' ' ILE . . . -55.22 -166.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 105' ' ' LEU . 2.2 mm -120.07 -141.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.743 . . . . 0.0 109.371 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.493 ' H ' HG22 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -122.54 -151.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.39 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 107' ' ' GLU . 4.6 pt-20 -37.41 -31.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -37.41 -54.93 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -85.48 83.7 7.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.525 HG21 HD23 ' A' ' 73' ' ' LEU . 2.2 mp -50.1 -31.41 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' ILE . 74.6 m -38.04 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.951 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -94.64 -50.53 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -58.08 -15.39 9.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -101.42 -20.98 12.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 165.18 -134.35 3.29 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.78 148.92 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.3 t -121.65 137.93 54.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.435 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.653 HG22 ' HA ' ' A' ' 84' ' ' ALA . 10.3 m -113.81 145.99 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 83.78 42.14 7.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -131.31 170.1 15.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.959 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -143.43 129.21 19.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.28 113.14 25.26 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.596 1.185 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.4 p -94.39 -58.03 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -54.19 140.71 31.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.576 1.172 . . . . 0.0 109.287 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.52 -71.16 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.75 109.54 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.736 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -52.24 110.14 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -122.62 142.46 50.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -138.22 92.1 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.93 95.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 12.2 t -95.61 62.87 2.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.83 170.59 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -88.43 -68.68 0.75 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.2 -166.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.45 143.12 44.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 164.09 178.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.407 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -105.2 41.93 2.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -96.35 175.41 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 0.82 . . . . 0.0 109.35 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.517 ' CG ' ' O ' ' A' ' 138' ' ' PHE . 14.4 p90 -177.5 94.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 15.9 m -151.8 158.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 176.08 126.23 0.94 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.635 1.209 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.45 127.55 9.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.399 0.705 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -173.55 160.24 3.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.5 120.45 6.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -90.3 94.56 9.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.27 -53.29 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -43.27 129.65 4.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -92.23 -168.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.374 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -179.12 143.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.244 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.24 154.11 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.581 ' O ' HD23 ' A' ' 151' ' ' LEU . 0.5 OUTLIER 179.97 147.45 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.622 1.201 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 150' ' ' ASP . 47.9 mt -151.8 179.63 8.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.368 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 2.3 p -124.16 176.01 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.36 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -84.75 -46.08 11.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.92 35.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.447 ' NE ' HD22 ' A' ' 151' ' ' LEU . 15.7 ttp85 -75.69 -35.34 60.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 1.206 HD12 ' CG ' ' A' ' 25' ' ' GLU . 1.3 pt -71.94 -37.45 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.566 ' HG2' ' OE2' ' A' ' 25' ' ' GLU . 17.0 mttt -67.75 -31.46 71.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.129 . . . . 0.0 109.207 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 13.6 t -77.18 -52.15 9.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.105 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.862 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 30.5 t90 -57.54 -56.45 21.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 108.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.878 HG21 ' HB3' ' A' ' 25' ' ' GLU . 35.7 t -50.53 -52.02 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -55.56 -31.14 61.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -71.8 -47.84 50.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.862 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -58.93 -54.61 45.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.454 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -64.3 -35.2 80.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.7 t -52.6 -78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -50.2 -60.22 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 1.033 ' CE2' HD13 ' A' ' 82' ' ' LEU . 16.2 m-30 -46.21 -23.75 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . 138.75 89.97 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.374 1.046 . . . . 0.0 111.02 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 168' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.377 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -54.86 146.56 17.12 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.786 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -177.79 64.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.449 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -73.92 151.65 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.635 1.209 . . . . 0.0 109.36 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.886 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -141.41 -179.87 18.97 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -143.52 115.85 8.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.23 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.983 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.3 m-85 -125.09 119.7 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.551 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -121.91 179.96 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' HA2' HD21 ' A' ' 69' ' ' LEU . . . -117.44 -0.99 18.34 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.551 1.157 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.88 145.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.417 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -89.75 159.99 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -134.16 -84.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.364 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.85 165.89 0.65 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.56 108.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.78 . . . . 0.0 109.293 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.4 p -136.83 -66.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -134.66 -67.86 0.55 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.472 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 69.8 m -170.97 64.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.413 1.07 . . . . 0.0 109.954 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 22' ' ' ILE . 95.5 t -55.29 -40.9 58.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.245 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.4 -41.48 60.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.22 -29.68 66.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.681 HG23 HD13 ' A' ' 156' ' ' ILE . 1.8 mp -69.52 -55.4 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.612 HD12 ' CG2' ' A' ' 160' ' ' VAL . 6.0 tp -54.91 -43.09 66.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.8 HH21 ' HG ' ' A' ' 33' ' ' LEU . 47.0 mtt180 -58.03 -53.8 54.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.391 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.77 -21.6 66.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 1.19 ' CG ' HD12 ' A' ' 156' ' ' ILE . 2.1 mm-40 -74.85 -48.03 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.249 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.449 ' CD1' HD13 ' A' ' 4' ' ' ILE . 1.4 m-85 -55.99 -16.8 5.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.1 -86.17 1.1 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.773 ' CB ' HG22 ' A' ' 30' ' ' VAL . 7.5 m-80 -42.41 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.801 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -71.57 -12.1 61.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 3' ' ' LYS . 2.4 m -49.55 100.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 29' ' ' ASP . 27.9 m -154.37 81.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.556 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 19.9 p -112.03 100.07 8.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.977 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -102.44 165.32 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.515 ' CD2' ' N ' ' A' ' 35' ' ' ASP . 0.1 OUTLIER -58.8 -16.73 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.603 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.977 ' HB2' HD13 ' A' ' 33' ' ' LEU . 26.2 t0 -39.44 -30.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.612 1.195 . . . . 0.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 36' ' ' VAL . 95.7 t -82.11 52.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.582 1.176 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 t -65.78 -10.13 34.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.085 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -5.56 32.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.05 135.13 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.46 -172.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.247 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.502 ' CG1' ' HA ' ' A' ' 71' ' ' SER . 15.6 m -65.32 -11.8 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.3 t -54.46 -27.9 40.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.59 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -62.87 -53.13 58.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.983 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.4 pp -73.28 -22.58 60.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.621 ' N ' HD12 ' A' ' 44' ' ' LEU . 60.7 t30 -69.55 -30.86 68.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.527 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 79.5 m-20 -69.33 -38.93 78.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -100.34 121.0 40.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.45 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -88.51 37.15 0.81 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' HB3' ' CG ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -154.57 110.91 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD22 ' CD1' ' A' ' 7' ' ' PHE . 1.2 mp -144.32 164.93 29.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.136 HG21 ' CH2' ' A' ' 159' ' ' TRP . 1.4 mp -121.26 154.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.614 1.196 . . . . 0.0 109.348 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 7' ' ' PHE . 2.9 pp -142.16 -172.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.27 113.88 1.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.517 ' CB ' ' HD3' ' A' ' 55' ' ' PRO . 0.1 OUTLIER 179.32 -58.78 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 54' ' ' CYS . 18.3 Cg_endo -74.99 139.88 24.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 t -101.3 2.18 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -162.24 143.24 10.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 107.992 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -178.57 98.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.207 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.509 HG23 ' N ' ' A' ' 60' ' ' GLY . 0.6 OUTLIER -137.84 -54.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.509 ' N ' HG23 ' A' ' 59' ' ' ILE . . . 79.3 -143.72 26.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -120.75 156.19 32.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tp -52.4 -64.55 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.21 93.11 6.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -165.88 168.34 15.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.924 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.49 95.17 1.32 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -116.21 151.13 36.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 108.036 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 169.94 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.03 -56.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.432 1.083 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.445 HD22 ' OE1' ' A' ' 72' ' ' GLU . 1.3 tp -148.03 -177.9 5.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -83.06 -24.62 32.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.502 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 19.2 p -158.38 67.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.929 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.445 ' OE1' HD22 ' A' ' 69' ' ' LEU . 2.5 tt0 -105.13 139.73 39.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.796 HD22 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -55.02 -26.33 36.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.218 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.796 ' N ' HD22 ' A' ' 73' ' ' LEU . 5.9 t70 -52.15 -21.92 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.187 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -56.98 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.361 1.038 . . . . 0.0 109.269 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 44' ' ' LEU . 39.6 t -50.0 142.56 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.12 53.67 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.536 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 1.8 m-85 -49.96 132.36 22.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -140.63 146.99 38.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 39.72 48.37 3.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.536 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -117.35 171.65 7.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.277 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.8 pp -110.89 127.15 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.479 HG23 ' CD ' ' A' ' 81' ' ' LYS . 2.9 t -127.63 121.05 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.574 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -102.07 162.86 12.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.489 ' CD2' HD11 ' A' ' 52' ' ' ILE . 1.7 t80 -138.11 131.19 30.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 6.9 t80 -100.42 84.08 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.59 156.9 3.24 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.5 p -118.6 94.87 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.399 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.52 91.64 1.83 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.087 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -130.5 153.61 48.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.61 68.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.234 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 tt -165.51 163.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.2 174.08 3.69 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.62 162.56 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.993 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.35 171.88 14.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -134.95 97.86 3.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' ASP . 2.6 t30 -40.61 -52.96 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -151.05 173.39 14.39 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -175.62 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -162.99 88.73 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.157 . . . . 0.0 109.228 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.71 176.98 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.29 165.95 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -128.81 165.51 21.61 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.435 1.084 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.9 tt -142.04 144.6 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 109.375 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.69 161.86 27.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.606 1.191 . . . . 0.0 109.325 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.11 -155.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -135.14 27.46 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -122.26 150.97 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.566 HG21 HD23 ' A' ' 73' ' ' LEU . 36.5 mm -51.56 -32.23 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.61 -77.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -91.99 -43.45 9.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 1.6 ttt180 -58.64 -42.2 87.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -62.72 -35.09 91.43 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.429 1.081 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.14 -106.73 0.28 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.467 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -123.96 146.56 48.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 0.796 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -119.04 133.52 55.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.445 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.671 HG11 ' CB ' ' A' ' 166' ' ' GLU . 4.3 m -121.28 139.15 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 100.87 60.1 0.81 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.595 1.185 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -140.28 162.96 34.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.768 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -145.16 100.0 3.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 77.6 p -52.4 157.83 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.9 t -151.84 142.84 23.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.452 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -131.89 -63.47 0.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.396 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -166.88 -141.93 3.29 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -127.35 56.6 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 0.725 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.29 -54.15 1.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.123 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.63 99.14 3.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.168 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 177.3 113.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -129.81 -53.0 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.404 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.18 94.61 5.61 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -48.15 -71.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -169.42 142.4 2.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.53 148.05 37.36 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 -150.01 149.17 29.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -84.93 166.44 16.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 113.1 177.3 19.57 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.412 1.07 . . . . 0.0 111.025 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -171.37 3.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 138' ' ' PHE . 11.9 p90 -141.1 132.67 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 76.6 t -135.11 -67.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 0.0 109.279 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.26 -123.94 2.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.93 143.38 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.394 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -165.72 139.4 4.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -174.19 132.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.28 117.77 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -64.92 -54.8 25.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.55 161.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.27 112.13 19.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -120.84 136.28 54.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.32 140.04 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.057 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.45 151.6 31.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 5.1 mp -141.46 157.85 44.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 154' ' ' ASP . 1.3 m -121.25 158.94 26.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.88 -31.43 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.462 ' N ' HG22 ' A' ' 152' ' ' THR . 19.2 m-20 -88.49 13.12 12.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 109.219 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -32.43 59.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.581 1.176 . . . . 0.0 110.285 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 1.19 HD12 ' CG ' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -69.14 -38.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -31.04 70.85 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.1 m -72.45 -58.66 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 1.136 ' CH2' HG21 ' A' ' 51' ' ' ILE . 44.4 t90 -55.98 -52.74 63.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 1.003 HG21 ' HB3' ' A' ' 25' ' ' GLU . 45.5 t -51.1 -51.71 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.234 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.81 -32.07 67.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -66.49 -47.31 73.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.228 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.848 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -63.82 -53.66 47.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -58.03 -33.53 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.419 ' O ' HD23 ' A' ' 169' ' ' LEU . 1.0 OUTLIER -59.94 -69.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.671 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.6 OUTLIER -58.21 -57.45 12.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 110.323 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 1.277 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.9 m-30 -36.84 -49.47 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 157.99 75.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 165' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -172.54 53.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.749 ' HA ' HG12 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -176.52 68.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.46 HD12 ' HB ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -82.77 148.88 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.836 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -137.69 177.63 19.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.74 116.29 13.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.745 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.108 ' CE2' HD23 ' A' ' 44' ' ' LEU . 6.4 m-85 -128.43 120.54 27.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.746 ' CE2' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -121.79 173.23 7.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.583 ' O ' HG23 ' A' ' 10' ' ' THR . . . -96.38 -14.34 44.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 9' ' ' GLY . 4.8 p -156.87 119.51 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.396 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 8.7 pt20 -52.11 142.46 16.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.374 1.046 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 t -175.81 138.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.59 176.41 45.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -89.52 -105.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.592 HG22 ' H ' ' A' ' 16' ' ' GLU . 9.2 m -51.46 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.592 ' H ' HG22 ' A' ' 15' ' ' THR . 0.6 OUTLIER -103.96 12.99 33.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 110.286 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.453 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -139.44 19.62 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.053 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.674 ' O ' HG22 ' A' ' 22' ' ' ILE . 31.3 m -56.51 -46.63 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 109.4 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -56.83 -29.66 63.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -36.05 64.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.408 1.067 . . . . 0.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.9 mp -69.4 -56.39 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 18' ' ' VAL . 4.4 tp -55.25 -38.31 47.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.456 1.098 . . . . 0.0 109.203 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.864 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.72 -54.1 50.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.1 -19.6 64.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.946 ' HB3' HG21 ' A' ' 160' ' ' VAL . 3.1 mm-40 -76.38 -48.79 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CD2' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -56.54 -16.28 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.62 -80.54 1.37 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.547 ' CB ' HG22 ' A' ' 30' ' ' VAL . 14.6 m-20 -57.59 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 0.808 . . . . 0.0 109.349 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -94.04 -6.29 45.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -48.13 99.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.864 HG21 ' CG ' ' A' ' 23' ' ' ARG . 2.9 t -155.6 81.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.536 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 67.1 p -109.42 99.67 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.357 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.829 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -98.73 167.2 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.746 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -74.22 -5.75 43.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.656 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.829 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.0 m-20 -39.93 -30.23 0.08 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.638 1.211 . . . . 0.0 109.395 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.438 ' N ' ' C ' ' A' ' 34' ' ' HIS . 24.7 m -87.48 46.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -53.9 -19.57 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -5.47 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.79 -171.68 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -107.15 164.19 12.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 71' ' ' SER . 10.5 m -65.12 -12.13 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.447 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 7.7 t -54.57 -28.23 44.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.566 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -57.97 -53.56 56.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.358 1.036 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.108 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.1 pp -77.54 -24.38 49.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.51 ' N ' HD12 ' A' ' 44' ' ' LEU . 52.3 t30 -58.29 -34.84 70.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.571 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 28.3 t70 -77.88 -42.72 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -95.22 107.84 19.95 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.517 1.136 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.616 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.9 pt20 -82.02 48.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.347 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.616 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -154.2 113.27 3.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.007 HD22 ' CE1' ' A' ' 7' ' ' PHE . 4.8 mt -143.29 165.28 27.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.608 1.192 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 5' ' ' GLY . 1.9 mp -124.31 150.39 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.8 mt -117.44 137.08 52.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.434 1.084 . . . . 0.0 109.34 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.25 60.54 0.3 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.03 156.91 38.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -70.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -89.67 157.19 18.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.611 1.195 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.541 ' CZ2' ' HE2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -102.96 158.05 16.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.68 160.02 38.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.88 -179.64 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -54.6 143.84 31.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.521 ' C ' HD13 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -126.01 162.84 24.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.348 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -150.51 31.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -102.05 165.34 11.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 0.0 110.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.12 133.45 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.99 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 66' ' ' TRP . 0.8 OUTLIER -78.8 -56.97 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.371 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.437 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 31.0 t90 -60.97 98.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.031 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.33 -48.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 0.0 110.241 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -129.18 -122.4 2.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.83 115.55 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.743 . . . . 0.0 109.433 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -134.51 96.82 3.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.678 ' O ' HG12 ' A' ' 41' ' ' VAL . 14.7 p -147.91 51.63 1.04 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.985 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.04 175.94 5.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.918 HD23 HG13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -49.0 -26.82 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 109.217 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.804 ' N ' HD22 ' A' ' 73' ' ' LEU . 26.1 t0 -54.77 -21.48 11.22 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -76.36 -53.58 7.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.38 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.69 HG21 ' CE1' ' A' ' 78' ' ' PHE . 29.9 m -72.39 162.46 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -105.59 68.05 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.69 ' CE1' HG21 ' A' ' 76' ' ' VAL . 2.3 m-30 -58.35 111.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.17 92.95 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.436 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . 99.21 35.94 4.58 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.548 ' N ' ' CD ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.09 166.23 10.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.42 0.718 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.005 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -102.61 129.77 49.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.8 132.59 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.723 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.04 142.87 32.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -106.12 118.58 36.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 87' ' ' GLY . 39.6 p90 -40.48 -47.29 2.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.509 ' N ' ' CG ' ' A' ' 86' ' ' PHE . . . 63.55 81.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.387 1.054 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.5 m -155.99 82.99 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 0.734 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.44 128.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.407 1.067 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.532 ' OD2' ' CZ2' ' A' ' 120' ' ' TRP . 2.7 p30 -139.97 140.04 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -127.88 93.45 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.49 89.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.331 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.24 179.85 45.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -131.52 139.61 49.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 0.768 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 52.22 74.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.93 128.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -163.59 90.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.393 1.058 . . . . 0.0 109.351 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.13 93.19 0.07 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -156.67 119.29 4.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -158.77 88.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -169.94 158.62 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.7 tt -144.24 163.43 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.12 -64.56 0.56 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.432 1.083 . . . . 0.0 111.043 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.6 mp -61.73 148.57 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.589 0.817 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mp -104.35 152.84 21.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.572 1.17 . . . . 0.0 109.223 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -147.48 -97.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.4 1.062 . . . . 0.0 110.28 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -155.66 65.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.541 ' HE2' ' CZ2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -163.39 119.01 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.918 HG13 HD23 ' A' ' 73' ' ' LEU . 16.7 mm -51.79 -40.84 28.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.1 t -53.29 -57.07 11.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.384 1.053 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -80.52 -3.83 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 108' ' ' LYS . 2.5 tpt180 -74.24 -51.07 16.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.3 126.99 0.91 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.408 1.068 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.436 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 132.14 -131.76 6.4 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.29 146.68 40.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 t -123.9 122.46 38.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.464 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 167' ' ' PHE . 7.1 p -111.55 162.66 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.384 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 124.64 61.97 0.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -38.27 148.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.532 ' CZ2' ' OD2' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -179.89 89.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.16 118.46 0.79 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.0 t -176.18 134.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -165.82 -77.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.366 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 64.15 79.38 0.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -93.6 142.96 26.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.18 142.91 33.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -123.21 -55.15 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.71 150.23 5.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.58 168.29 9.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.24 158.45 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -105.66 173.24 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -105.01 172.52 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.99 172.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 154.25 0.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 64.87 135.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 138.64 171.57 12.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -172.55 109.11 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -176.26 165.7 2.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.409 1.068 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.04 178.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.64 ' O ' HD12 ' A' ' 141' ' ' LEU . . . -170.13 174.97 44.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.618 1.199 . . . . 0.0 110.982 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 140' ' ' GLY . 0.8 OUTLIER -165.25 148.76 8.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 0.719 . . . . 0.0 109.349 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -172.75 157.63 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -177.77 125.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -110.44 94.03 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.62 -38.43 74.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.55 143.05 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -140.28 -172.42 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.85 169.24 20.13 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.25 -162.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 110.043 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.7 -174.44 4.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.91 -171.31 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.498 ' CG2' ' OD2' ' A' ' 154' ' ' ASP . 3.4 t -170.56 165.36 8.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.46 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.73 -15.89 31.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.498 ' OD2' ' CG2' ' A' ' 152' ' ' THR . 4.6 p-10 -93.01 27.92 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -50.08 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.9 -40.93 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 12.6 pttt -65.01 -31.01 72.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.3 t -74.31 -60.66 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.002 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.863 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 28.2 t90 -53.14 -57.35 10.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.946 HG21 ' HB3' ' A' ' 25' ' ' GLU . 69.8 t -50.52 -51.76 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -54.76 -31.61 58.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.645 1.215 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.85 -49.28 39.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.863 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -58.1 -53.65 55.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.533 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -63.85 -35.2 79.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -52.56 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 117' ' ' VAL . 14.9 mt-10 -51.89 -61.35 2.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.633 1.208 . . . . 0.0 110.222 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 1.005 ' CE1' HD13 ' A' ' 82' ' ' LEU . 15.9 m-30 -44.7 -25.1 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . 129.25 84.22 0.38 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.387 1.054 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 164' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -121.11 137.36 54.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.909 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -175.06 73.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.636 HD13 ' CE1' ' A' ' 26' ' ' PHE . 1.1 mp -84.59 149.07 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.618 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -135.28 171.6 22.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.55 116.37 15.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.056 ' CE2' HD23 ' A' ' 44' ' ' LEU . 8.5 m-85 -125.69 128.8 48.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.637 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -128.33 179.95 5.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.4 -64.81 0.68 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -138.87 115.95 10.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 0.785 . . . . 0.0 110.396 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -155.24 175.09 14.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 p -140.42 -167.13 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.3 167.37 31.86 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.594 1.184 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.57 -73.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.0 p -52.16 -174.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -38.84 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.486 ' O ' HD12 ' A' ' 21' ' ' ILE . 1.0 OUTLIER -170.97 106.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.931 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.836 ' O ' HG22 ' A' ' 22' ' ' ILE . 95.3 t -55.41 -47.24 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.67 -33.27 33.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -39.4 69.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.421 1.076 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.872 HG22 HG21 ' A' ' 156' ' ' ILE . 2.5 mp -66.51 -56.98 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.194 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.936 ' CD1' HG22 ' A' ' 160' ' ' VAL . 2.4 tp -55.9 -33.13 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.94 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.69 -54.28 44.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.627 1.204 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.12 -40.42 97.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.627 1.204 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.791 ' HB3' HG21 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -57.17 -49.74 75.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.636 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.6 OUTLIER -49.75 -21.28 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.99 67.27 2.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.777 ' HB3' HG22 ' A' ' 30' ' ' VAL . 2.5 t30 170.62 -158.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.3 -18.53 12.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.06 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.909 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -48.43 99.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.94 HG21 ' CG ' ' A' ' 23' ' ' ARG . 3.0 t -156.13 81.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.564 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 51.0 p -112.72 99.41 7.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -94.69 164.78 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.587 ' CD2' ' C ' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -76.76 -0.68 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.596 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.897 ' HB2' HD13 ' A' ' 33' ' ' LEU . 2.8 m-20 -39.25 -30.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 36' ' ' VAL . 19.6 m -84.6 50.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -60.69 -14.37 20.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.438 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -71.23 -5.43 31.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.35 -171.58 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.44 168.32 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 110.289 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.597 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 5.8 m -64.22 -12.83 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.432 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 15.5 p -54.19 -29.84 47.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.411 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.516 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -57.4 -53.5 57.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.056 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.5 pp -77.2 -23.46 51.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.621 ' N ' HD12 ' A' ' 44' ' ' LEU . 41.0 t30 -62.7 -31.14 71.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.243 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.95 -40.62 68.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -95.39 118.3 31.89 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.528 1.142 . . . . 0.0 111.108 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.477 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 3.6 mt-30 -84.63 40.88 0.82 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.844 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -155.12 113.47 3.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.073 . . . . 0.0 110.955 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.844 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.8 mm? -141.56 162.91 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 5' ' ' GLY . 2.8 mp -118.1 148.3 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 mm -112.3 119.43 60.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -116.19 77.92 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.97 94.21 10.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.24 6.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.423 1.749 . . . . 0.0 111.009 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -91.49 -169.84 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.36 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -174.86 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -55.47 160.21 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.4 mp -105.51 140.32 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.2 110.21 3.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.587 1.18 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -164.12 -52.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.316 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 mp -97.85 177.32 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.26 143.27 32.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -179.95 143.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -157.71 129.55 6.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -125.6 79.57 1.83 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -128.31 158.95 36.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -178.96 73.6 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 111.085 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.538 HD23 ' H ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -179.87 160.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.238 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.538 ' H ' HD23 ' A' ' 69' ' ' LEU . 3.8 p90 -137.99 61.03 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.587 ' O ' HG12 ' A' ' 41' ' ' VAL . 3.9 p -179.96 47.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.934 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.88 156.9 17.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -53.61 -25.58 18.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.798 ' N ' HD22 ' A' ' 73' ' ' LEU . 17.7 t0 -68.16 -20.54 64.89 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.09 -63.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.715 HG21 ' CE1' ' A' ' 78' ' ' PHE . 7.7 m -40.31 152.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.308 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -88.51 44.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.715 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.9 m-30 -38.02 134.68 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -139.29 124.21 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 49.61 66.16 2.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.619 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -128.77 171.44 12.23 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.26 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.9 OUTLIER -106.19 135.35 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.245 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.482 ' CG2' ' HE3' ' A' ' 81' ' ' LYS . 1.0 OUTLIER -135.27 121.36 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.744 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.91 119.84 39.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CE2' ' CE2' ' A' ' 119' ' ' TYR . 13.2 t80 -97.97 123.49 42.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.94 138.26 47.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.01 88.11 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.4 p -60.45 136.27 58.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.448 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.76 93.79 1.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.05 114.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 0.77 . . . . 0.0 109.257 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -136.01 135.45 39.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.495 HG23 ' N ' ' A' ' 93' ' ' GLY . 0.6 OUTLIER -150.5 -56.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 92' ' ' ILE . . . 132.82 -107.33 0.69 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.4 ' N ' ' CD1' ' A' ' 94' ' ' TYR . 14.8 p90 -144.37 51.67 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -147.8 82.68 1.51 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.78 113.03 16.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.9 159.53 16.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.242 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -172.79 134.15 0.6 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -135.45 -58.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.617 1.198 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.95 154.05 10.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -119.22 97.29 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.076 . . . . 0.0 109.25 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.5 mt -97.71 101.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.83 157.63 14.86 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.509 1.131 . . . . 0.0 110.953 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 104' ' ' ILE . 14.7 tt -72.46 89.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.579 0.811 . . . . 0.0 109.248 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 105' ' ' LEU . 0.7 OUTLIER -40.44 146.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.79 -67.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.12 -40.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.238 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -42.01 141.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.458 HG22 ' HZ1' ' A' ' 81' ' ' LYS . 1.1 mp -53.03 -52.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.564 ' HB3' HG21 ' A' ' 116' ' ' THR . 53.9 m -58.76 -40.31 83.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -86.67 11.61 12.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.371 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -54.94 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.075 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -178.08 98.12 0.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 159.82 169.17 22.79 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 146.5 31.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 0.812 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.564 HG21 ' HB3' ' A' ' 110' ' ' SER . 81.3 p -117.39 122.44 43.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.574 1.171 . . . . 0.0 110.433 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.744 HG22 ' HA ' ' A' ' 84' ' ' ALA . 11.8 m -107.17 142.89 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 90.2 5.22 70.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.55 ' CE2' ' CE2' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -131.48 -61.89 0.89 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 0.745 . . . . 0.0 110.972 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -75.71 158.44 32.3 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.46 91.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 110.064 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.2 p -83.19 155.31 23.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -172.06 147.41 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 149.76 56.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 126' ' ' ASP . 57.5 t80 -172.32 162.71 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.445 ' O ' ' CD2' ' A' ' 125' ' ' TYR . 14.8 t0 -87.01 154.08 21.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -104.89 -54.34 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -178.7 162.09 1.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -149.68 108.09 3.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 60.1 p -72.75 155.01 40.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.928 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -168.09 113.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -101.69 56.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -122.8 161.95 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.363 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.72 33.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -163.45 96.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -132.91 128.38 5.1 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.61 1.194 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.507 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -91.11 -65.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.507 ' CD1' ' HB3' ' A' ' 137' ' ' LYS . 24.9 p90 -174.92 -43.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.065 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.422 ' N ' ' CD2' ' A' ' 138' ' ' PHE . 18.2 t -140.82 146.38 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.393 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 159.75 89.1 0.07 OUTLIER Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.58 1.175 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.07 144.15 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 0.717 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.19 162.6 23.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.4 mp -134.11 128.84 34.98 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -64.9 111.71 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -59.57 4.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.419 1.075 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.37 107.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -138.8 126.86 22.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -87.12 118.46 26.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.48 164.13 24.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -122.72 162.87 21.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.58 155.41 25.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 16.9 p -96.04 169.91 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.17 -50.88 4.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.463 ' HB3' ' CD ' ' A' ' 157' ' ' LYS . 46.9 m-20 -78.91 55.93 1.84 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -55.85 -40.74 73.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.872 HG21 HG22 ' A' ' 21' ' ' ILE . 1.6 mp -56.48 -52.54 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.463 ' CD ' ' HB3' ' A' ' 154' ' ' ASP . 26.5 mtpt -48.52 -43.01 34.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.705 ' O ' ' HB3' ' A' ' 161' ' ' ALA . 8.1 t -57.44 -64.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.186 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.918 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 32.8 t90 -46.3 -57.93 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 108.029 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.936 HG22 ' CD1' ' A' ' 22' ' ' ILE . 87.3 t -50.0 -31.26 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 158' ' ' SER . . . -68.48 -33.99 75.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.813 ' HG2' HD23 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -74.58 -39.2 62.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.375 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.918 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 4.6 mt -60.85 -54.09 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.448 ' HA ' ' NZ ' ' A' ' 164' ' ' LYS . 0.2 OUTLIER -61.52 -35.02 76.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -64.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.528 ' HB2' HG11 ' A' ' 117' ' ' VAL . 0.7 OUTLIER -67.43 -54.53 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 1.26 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.5 m-30 -35.74 -52.62 0.71 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -86.17 -72.62 1.29 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.247 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.93 151.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.539 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.7 OUTLIER 179.81 70.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.802 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -73.93 135.43 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.97 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -138.06 -179.92 17.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.571 HD13 HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -140.61 116.3 10.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.726 . . . . 0.0 109.319 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.88 ' CE2' HD23 ' A' ' 44' ' ' LEU . 9.6 m-85 -121.11 143.9 48.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.654 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -138.18 123.43 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -38.96 -29.33 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -168.09 167.95 12.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 110.421 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -103.1 174.12 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -150.09 35.41 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.99 147.81 0.15 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -175.84 144.84 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 0.801 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -131.91 79.77 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.471 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HB3' HG13 ' A' ' 18' ' ' VAL . 1.3 tt0 -179.97 151.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.227 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 p -99.91 57.9 1.0 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.652 1.22 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.751 ' O ' HG22 ' A' ' 22' ' ' ILE . 35.6 m -62.42 -38.16 80.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.61 -31.87 26.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.94 -39.97 65.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 21' ' ' ILE . 1.7 mp -66.69 -56.27 14.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.316 ' CD1' HG22 ' A' ' 160' ' ' VAL . 4.2 tp -57.1 -33.41 42.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.522 ' CG ' HG21 ' A' ' 31' ' ' VAL . 1.6 tmt_? -62.98 -53.84 47.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.301 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.12 -34.76 64.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 1.059 ' CB ' HG11 ' A' ' 160' ' ' VAL . 63.4 mm-40 -65.79 -49.73 67.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.913 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -53.68 -18.76 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.16 64.51 4.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.762 ' HB3' HG22 ' A' ' 30' ' ' VAL . 9.0 m-20 169.99 -172.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.774 . . . . 0.0 109.259 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.86 -16.14 18.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.221 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.762 HG22 ' HB3' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -47.94 99.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.522 HG21 ' CG ' ' A' ' 23' ' ' ARG . 53.1 t -156.19 85.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.535 ' O ' ' HA3' ' A' ' 5' ' ' GLY . 7.7 p -113.13 99.43 7.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.649 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -104.02 166.51 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.387 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -59.9 -15.49 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.575 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.502 ' HB2' HD13 ' A' ' 33' ' ' LEU . 9.1 m-20 -37.35 -33.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.415 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 33' ' ' LEU . 5.9 m -81.22 53.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.1 t -63.64 -11.1 22.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -5.68 32.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.98 -171.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.354 1.034 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' C ' ' OG ' ' A' ' 71' ' ' SER . 6.4 mt-10 -115.02 -175.14 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.361 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.763 HG12 ' C ' ' A' ' 71' ' ' SER . 2.4 m -65.74 -11.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -58.48 -27.48 64.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.542 1.151 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.464 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -68.74 -54.64 14.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.88 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.3 pp -62.68 -27.46 69.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.55 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.3 t30 -74.5 -30.96 62.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.04 -39.23 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.63 145.81 28.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.508 ' CB ' ' HB3' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -107.79 39.1 2.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.225 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -155.4 113.63 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.634 HD23 ' CA ' ' A' ' 5' ' ' GLY . 46.9 mt -151.74 165.03 35.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.97 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.1 mp -130.29 153.96 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 mt -125.42 157.89 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.63 26.23 2.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.112 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.1 p -154.92 158.21 32.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 151.07 38.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.589 1.836 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.6 p -125.02 -42.12 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 13.1 p90 -44.9 110.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.035 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -150.01 107.62 3.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 tp -57.2 135.63 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.573 1.171 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.59 99.63 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -178.47 69.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.612 0.831 . . . . 0.0 110.264 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -142.72 -66.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -88.04 162.46 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.598 1.186 . . . . 0.0 110.269 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -58.32 133.94 56.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.968 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -117.88 144.38 45.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -124.45 -48.94 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 107.941 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.47 133.43 45.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.47 -131.06 5.31 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.515 1.134 . . . . 0.0 111.061 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.607 HD11 ' OD1' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -118.58 -171.03 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 0.699 . . . . 0.0 109.285 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -88.1 -70.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.763 ' C ' HG12 ' A' ' 41' ' ' VAL . 10.4 t -179.93 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' ASP . 16.1 mp0 -105.0 166.36 10.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.983 HD23 ' CG1' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -44.69 -26.98 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.613 ' H ' HD13 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -51.31 -22.05 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.521 ' HB3' HG11 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -100.26 -44.65 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.804 HG11 ' CE1' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -54.08 -171.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.598 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.0 p-10 -145.81 66.77 1.21 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.804 ' CE1' HG11 ' A' ' 76' ' ' VAL . 6.2 m-30 -61.49 113.54 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 2.6 m120 -129.72 61.9 1.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.94 58.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.841 ' O ' ' HA3' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -147.14 169.44 19.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.392 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -96.36 128.17 43.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.756 ' O ' ' HA ' ' A' ' 116' ' ' THR . 0.0 OUTLIER -131.59 123.29 52.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 1.055 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.93 162.4 12.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.662 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 0.3 OUTLIER -129.08 130.65 46.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.931 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.747 ' CD2' ' CH2' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -76.34 132.34 39.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -125.53 91.02 0.39 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 88' ' ' THR . 9.5 t -107.3 58.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.85 107.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -157.91 145.93 18.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.591 0.818 . . . . 0.0 109.272 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -170.97 103.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.197 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.52 120.3 50.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.088 . . . . 0.0 109.284 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 39.66 -155.34 0.03 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 94' ' ' TYR . 2.3 p90 -161.14 127.6 3.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 0.788 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -179.34 121.73 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.16 138.18 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -108.17 162.12 14.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -48.94 168.05 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -157.02 -54.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 110.327 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -42.11 -51.63 4.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -134.43 128.67 33.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -157.5 -48.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.24 72.84 1.25 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.64 ' C ' HD23 ' A' ' 105' ' ' LEU . 18.7 pt -129.55 132.2 66.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.64 HD23 ' C ' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -169.72 -42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -111.2 84.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.37 -74.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 150.74 30.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.983 ' CG1' HD23 ' A' ' 73' ' ' LEU . 1.7 mp -51.81 -52.62 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.445 ' CB ' ' HB ' ' A' ' 116' ' ' THR . 0.7 OUTLIER -55.57 -62.12 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.065 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -54.1 -19.41 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.308 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -75.37 -42.57 53.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.417 ' HA3' ' C ' ' A' ' 79' ' ' ASN . . . 173.44 127.41 0.98 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 119.09 -140.27 14.95 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.65 154.56 41.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 0.808 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.756 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -122.55 147.32 46.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.573 1.17 . . . . 0.0 110.373 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 1.055 HG22 ' HA ' ' A' ' 84' ' ' ALA . 5.9 m -135.84 152.73 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 116.82 48.96 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -38.38 158.12 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.573 0.808 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -160.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 107.983 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.8 m -128.8 131.23 47.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.7 p -149.4 -73.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.7 134.52 57.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 137.99 98.95 0.48 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.59 170.39 8.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 0.79 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.52 158.75 16.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -54.81 166.88 0.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -109.46 156.58 19.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -109.46 144.73 37.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 36.3 p -66.43 158.32 29.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.62 -48.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.916 ' HB1' ' HE2' ' A' ' 137' ' ' LYS . . . -60.87 -173.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.94 -63.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -171.37 105.52 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 40.2 t30 176.66 51.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 39.81 86.2 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.916 ' HE2' ' HB1' ' A' ' 132' ' ' ALA . 0.0 OUTLIER -171.99 179.6 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 109.239 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.442 ' C ' HG13 ' A' ' 139' ' ' VAL . 0.4 OUTLIER -176.55 92.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.442 HG13 ' C ' ' A' ' 138' ' ' PHE . 34.6 m -154.74 163.3 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.36 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 177.28 151.51 9.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 30.1 mt -94.11 165.48 12.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.606 0.827 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -94.88 170.18 9.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.0 mt -142.03 -175.77 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.91 55.5 2.95 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.396 1.06 . . . . 0.0 109.268 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.08 -58.33 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.93 141.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -109.55 174.01 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.237 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.9 163.11 0.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 110.303 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.8 m -129.89 142.65 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.37 147.8 24.85 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.599 1.187 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -62.05 -172.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.675 HG22 ' H ' ' A' ' 154' ' ' ASP . 96.0 m -131.38 154.68 48.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 110.385 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -82.12 -27.84 32.58 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.417 1.073 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.675 ' H ' HG22 ' A' ' 152' ' ' THR . 1.8 p30 -92.99 24.55 3.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -75.89 -56.53 4.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.7 OUTLIER -52.32 -44.95 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -31.04 71.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -61.79 -71.76 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.87 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 17.7 t90 -46.23 -51.08 15.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 108.01 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 1.316 HG22 ' CD1' ' A' ' 22' ' ' ILE . 33.1 t -51.37 -40.61 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -69.31 -31.59 70.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.57 -46.05 80.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.87 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.2 OUTLIER -71.84 -54.22 10.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.913 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -53.71 -39.85 65.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 12.8 m -61.92 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.726 ' CB ' HG11 ' A' ' 117' ' ' VAL . 4.2 mm-40 -46.04 -61.92 1.55 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.964 ' CZ ' ' HB2' ' A' ' 84' ' ' ALA . 13.1 m-30 -37.53 -60.27 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -178.47 79.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 169' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.609 ' HG2' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.17 147.4 0.24 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.64 71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.966 HD12 HG11 ' A' ' 30' ' ' VAL . 1.1 mt -97.56 137.85 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.913 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -136.9 -175.77 13.98 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.22 117.18 8.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.752 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.9 m-85 -125.24 127.07 46.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.572 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -122.57 179.78 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 111.036 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.33 -50.41 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.406 1.066 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.6 t -103.57 174.29 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 0.822 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -95.52 137.08 35.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.1 p -147.61 -59.66 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.357 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.4 167.99 52.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.432 1.082 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.87 177.07 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.212 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 16' ' ' GLU . 41.9 p -59.33 -67.33 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -145.21 116.19 7.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.4 1.062 . . . . 0.0 110.372 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.97 -66.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.937 ' O ' HG22 ' A' ' 22' ' ' ILE . 10.9 m -55.27 -37.3 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -57.44 -33.29 67.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -37.96 66.59 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.923 HG22 HG21 ' A' ' 156' ' ' ILE . 2.4 mp -66.69 -56.36 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.986 ' CD1' HG22 ' A' ' 160' ' ' VAL . 2.6 tp -55.07 -36.95 40.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.651 ' CG ' HG21 ' A' ' 31' ' ' VAL . 3.6 tmt_? -59.2 -53.99 51.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -62.01 -40.88 97.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.871 ' OE2' ' HE2' ' A' ' 157' ' ' LYS . 65.1 mm-40 -57.62 -49.92 74.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.335 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.623 ' HE1' HD13 ' A' ' 4' ' ' ILE . 0.7 OUTLIER -55.21 -17.61 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.073 179.841 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.7 45.6 93.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.402 1.064 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -173.48 155.9 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -70.34 -7.78 45.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.966 HG11 HD12 ' A' ' 4' ' ' ILE . 2.2 t -55.71 100.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.71 ' O ' HG12 ' A' ' 31' ' ' VAL . 2.8 t -156.44 81.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.59 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 20.5 p -108.3 98.92 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.185 . . . . 0.0 110.425 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.81 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -95.24 164.09 12.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.633 ' CD2' ' C ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -78.57 2.4 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.651 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.81 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.8 m-20 -37.9 -32.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 36' ' ' VAL . 5.4 m -83.38 51.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -60.46 -13.92 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -5.6 31.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.92 -171.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.15 167.89 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.234 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.618 HG11 ' N ' ' A' ' 71' ' ' SER . 4.1 m -65.41 -11.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 p -53.77 -27.49 29.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.404 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -67.56 -53.51 27.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.752 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.5 pp -68.45 -22.87 64.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.557 ' N ' HD12 ' A' ' 44' ' ' LEU . 43.7 t30 -75.19 -30.72 60.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 12.3 t0 -63.85 -40.14 95.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -100.65 143.68 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 111.047 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.512 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.8 OUTLIER -107.7 40.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.512 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -155.83 113.23 3.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.678 HD23 ' CA ' ' A' ' 5' ' ' GLY . 26.7 mt -149.57 165.58 31.81 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.103 HG21 ' CH2' ' A' ' 159' ' ' TRP . 3.6 mp -127.3 158.6 38.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.501 HG22 ' H ' ' A' ' 53' ' ' GLY . 2.3 mt -130.92 170.63 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.501 ' H ' HG22 ' A' ' 52' ' ' ILE . . . -157.2 52.68 0.41 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.579 1.175 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.85 153.77 89.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -59.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.403 1.738 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.1 m -70.85 99.72 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -154.23 80.2 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -124.66 -57.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.21 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.7 pt -129.39 178.85 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.226 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 170.53 78.98 0.04 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.49 1.119 . . . . 0.0 111.062 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.5 93.6 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 mt -177.31 159.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -43.56 132.0 4.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.5 162.42 14.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.935 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.89 113.65 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -50.76 120.64 4.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.052 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -156.93 74.24 0.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.087 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.91 140.92 11.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' SER . 7.6 mp -104.6 134.46 47.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.41 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 63.9 m-85 -39.67 95.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.618 ' N ' HG11 ' A' ' 41' ' ' VAL . 83.7 p 179.95 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -105.28 151.02 24.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -57.17 -26.11 60.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.6 -20.97 66.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 70' ' ' TYR . 18.1 t70 -78.57 -63.08 1.49 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.68 HG21 ' CE1' ' A' ' 78' ' ' PHE . 13.7 m -44.38 150.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -86.34 47.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.5 m-30 -38.81 105.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.09 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -63.62 -151.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.646 1.216 . . . . 0.0 109.235 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.453 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . -67.01 57.58 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.377 1.048 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HD3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.2 171.39 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.352 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.25 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -100.84 138.73 37.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.48 ' CG2' ' HE2' ' A' ' 81' ' ' LYS . 0.5 OUTLIER -140.24 121.17 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.764 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.92 157.34 16.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.589 ' O ' ' NE1' ' A' ' 159' ' ' TRP . 0.1 OUTLIER -130.08 134.17 47.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.393 1.058 . . . . 0.0 111.022 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.574 ' HA ' ' NE1' ' A' ' 159' ' ' TRP . 0.1 OUTLIER -84.51 146.74 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 111.053 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.4 86.52 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.4 m -98.29 -59.94 1.65 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 110.395 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.98 -119.75 9.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.8 178.15 6.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.573 0.807 . . . . 0.0 109.262 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -108.76 48.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.5 pt -131.51 176.09 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -110.94 151.42 17.7 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.27 151.41 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.33 177.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.06 163.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -90.5 174.35 7.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -85.44 164.61 17.78 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -96.65 -58.88 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.608 1.193 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -62.75 143.71 57.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -108.89 173.71 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.406 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.49 ' O ' ' CG2' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -123.73 111.82 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -137.34 47.23 0.96 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 21.2 mt -105.32 149.49 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.766 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.57 141.76 24.66 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.631 1.207 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 179.99 131.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -38.86 105.8 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.426 1.079 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -176.64 124.5 0.16 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.449 1.093 . . . . 0.0 109.36 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.83 -33.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.387 1.054 . . . . 0.0 109.356 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.78 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.441 ' HG3' ' CG2' ' A' ' 116' ' ' THR . 2.1 mt-30 -92.0 -46.66 7.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 4.3 tpt180 -58.97 -15.77 14.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 79' ' ' ASN . . . -108.46 27.15 14.32 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 124.393 1.058 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.453 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 112.5 -118.06 4.53 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.624 0.838 . . . . 0.0 111.024 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -119.17 147.78 43.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.796 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.441 ' CG2' ' HG3' ' A' ' 111' ' ' GLN . 4.0 t -131.93 137.52 47.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.419 1.074 . . . . 0.0 110.403 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 84' ' ' ALA . 10.2 m -125.08 142.83 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.97 70.4 0.13 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.43 1.081 . . . . 0.0 111.082 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -159.97 142.44 13.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.626 0.839 . . . . 0.0 110.998 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -153.65 133.09 12.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.59 -62.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.1 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.419 ' H ' HG23 ' A' ' 122' ' ' THR . 66.3 p -42.14 156.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -157.07 -57.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 101.8 -58.53 0.62 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -39.79 -51.37 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 111.052 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.33 118.64 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.366 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -116.34 -54.67 2.45 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 51.41 92.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -177.06 93.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.14 164.58 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.915 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.3 151.54 31.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.05 148.07 32.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mt -128.26 -63.9 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 140.81 57.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -179.88 146.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -171.54 57.53 0.17 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -69.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 0.717 . . . . 0.0 109.383 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.64 166.25 14.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 33.3 m -66.35 161.68 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.45 ' O ' HD22 ' A' ' 141' ' ' LEU . . . 169.78 98.13 0.11 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.563 1.164 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.45 HD22 ' O ' ' A' ' 140' ' ' GLY . 0.3 OUTLIER -137.66 128.03 26.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.787 . . . . 0.0 109.353 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.04 122.2 26.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.96 150.69 41.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -112.58 57.03 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.79 -56.48 17.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -47.31 100.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -136.08 137.97 41.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -166.59 134.06 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 19.1 t -174.08 154.97 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.934 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.97 140.45 0.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.58 129.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.412 HG23 ' OD2' ' A' ' 154' ' ' ASP . 1.7 m -164.45 135.93 4.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.3 -49.39 64.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.412 ' OD2' HG23 ' A' ' 152' ' ' THR . 6.9 p-10 -70.31 60.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.531 ' HG2' HD13 ' A' ' 156' ' ' ILE . 9.6 ttm180 -75.79 -56.34 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.244 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.923 HG21 HG22 ' A' ' 21' ' ' ILE . 1.2 mm -70.62 -41.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.871 ' HE2' ' OE2' ' A' ' 25' ' ' GLU . 6.1 mttt -59.35 -31.35 69.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.0 t -74.34 -66.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.057 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 1.103 ' CH2' HG21 ' A' ' 51' ' ' ILE . 50.7 t90 -44.06 -53.02 6.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 107.942 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.986 HG22 ' CD1' ' A' ' 22' ' ' ILE . 13.7 t -51.2 -51.85 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.54 -32.29 62.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.3 -44.76 74.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.422 1.076 . . . . 0.0 110.307 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.845 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -65.35 -53.73 39.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.242 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.619 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -59.51 -33.28 71.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -67.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.721 ' CB ' HG11 ' A' ' 117' ' ' VAL . 1.6 tp10 -60.67 -57.48 12.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.345 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 1.25 ' CE1' HD13 ' A' ' 82' ' ' LEU . 11.0 m-30 -37.57 -61.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.75 -75.63 0.65 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 109.287 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.529 ' CB ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -111.18 -175.89 2.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.78 ' HG3' HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -175.31 48.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.682 HG23 ' HB2' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -73.69 161.26 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.559 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -169.86 -144.52 4.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -153.78 127.86 9.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.231 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.899 ' CE2' HD23 ' A' ' 44' ' ' LEU . 8.5 m-85 -126.14 141.93 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -132.98 166.5 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 110.956 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.97 -61.9 2.45 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.9 p -137.83 95.43 3.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 110.42 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.72 171.2 15.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.4 p -148.42 -54.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.43 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.18 -120.02 6.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.593 1.183 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -105.51 155.17 19.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.1 p -48.63 -55.94 9.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -179.95 77.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.476 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -121.32 -78.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 m -55.31 -36.61 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.76 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -34.74 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -61.3 -56.68 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.923 HD11 HG23 ' A' ' 160' ' ' VAL . 6.8 tp -54.83 -42.15 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.881 ' HG3' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.77 -51.41 56.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' N ' ' CD ' ' A' ' 23' ' ' ARG . 35.6 t0 -63.94 -37.48 87.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.557 ' HB3' HG11 ' A' ' 160' ' ' VAL . 59.0 mm-40 -58.38 -49.99 75.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.629 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 1.7 m-85 -49.7 -21.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.19 -46.29 2.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.518 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.8 m120 -90.83 -172.14 3.26 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.405 0.709 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.898 ' O ' HG12 ' A' ' 31' ' ' VAL . 28.4 t0 -95.8 0.55 52.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.529 HG11 ' CB ' ' A' ' 2' ' ' LYS . 1.6 m -59.52 99.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.898 HG12 ' O ' ' A' ' 29' ' ' ASP . 0.7 OUTLIER -155.68 98.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.78 HG21 ' HG3' ' A' ' 3' ' ' LYS . 11.4 p -129.56 99.1 5.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.66 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -104.63 158.32 16.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.426 ' C ' ' N ' ' A' ' 36' ' ' VAL . 37.5 p-80 -39.21 -30.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.596 1.185 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -39.09 -31.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 33' ' ' LEU . 31.5 m -79.9 55.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.709 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.2 p -71.89 -4.99 31.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -5.47 32.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB1' ' OD2' ' A' ' 43' ' ' ASP . . . -133.0 143.39 49.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 70' ' ' TYR . 1.1 mt-10 -63.16 -169.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.78 HG12 ' HA ' ' A' ' 71' ' ' SER . 5.5 m -67.5 -11.7 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.0 t -56.0 -29.04 59.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.611 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -61.85 -53.19 59.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.899 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.3 pp -72.25 -23.04 61.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.655 ' N ' HD12 ' A' ' 44' ' ' LEU . 54.5 t30 -67.07 -33.24 75.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -76.71 -41.27 45.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.49 111.68 23.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.662 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.5 pt20 -87.86 40.86 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.682 ' HB2' HG23 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -147.69 110.48 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.859 HD13 ' CD1' ' A' ' 7' ' ' PHE . 37.4 mt -153.64 140.84 19.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.747 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.7 mt -96.16 162.3 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.44 HD11 HG11 ' A' ' 83' ' ' VAL . 2.6 mt -119.89 153.68 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.99 -84.0 1.76 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p 179.98 66.6 0.15 Allowed Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -88.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.535 1.808 . . . . 0.0 111.012 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -110.28 158.91 17.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.072 . . . . 0.0 110.5 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -118.32 -56.03 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 108.068 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 51.39 98.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.637 ' O ' HG23 ' A' ' 59' ' ' ILE . 1.5 tp -92.19 97.19 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.17 -161.81 26.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.95 -62.48 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 tt -158.08 120.57 3.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.41 1.069 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.45 109.57 1.29 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.398 1.061 . . . . 0.0 110.275 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m 179.98 116.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.065 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -156.51 103.42 2.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.91 126.13 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 108.052 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -61.29 -85.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.359 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.99 -91.49 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.421 1.076 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.709 HD21 ' HB2' ' A' ' 37' ' ' SER . 0.1 OUTLIER -122.25 156.39 33.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 40' ' ' GLU . 4.4 m-85 -92.45 49.66 1.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.78 ' HA ' HG12 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -158.3 38.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.07 . . . . 0.0 110.042 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 74' ' ' ASP . 26.1 tt0 -105.03 102.34 11.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.871 HD23 HG12 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -44.6 -27.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.594 ' H ' HD13 ' A' ' 73' ' ' LEU . 31.4 t70 -49.1 -23.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -57.64 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.696 HG21 HD11 ' A' ' 44' ' ' LEU . 64.5 t -51.35 142.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.412 1.07 . . . . 0.0 109.265 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -88.84 62.41 6.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CD1' ' HD2' ' A' ' 81' ' ' LYS . 1.7 m-30 -50.92 120.78 5.16 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.54 127.51 49.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.6 14.71 29.81 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.587 ' HD2' ' CD1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -73.75 169.83 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.886 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -118.55 131.33 56.22 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.416 1.073 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 3.0 t -135.89 132.53 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.792 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -101.36 162.84 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -132.88 131.96 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.27 -52.45 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.5 136.72 4.45 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.1 m -53.49 -60.81 2.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 0.804 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.01 -137.36 2.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.55 103.16 15.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.456 ' O ' ' NE1' ' A' ' 120' ' ' TRP . 0.0 OUTLIER -144.17 143.47 31.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.687 HD12 ' N ' ' A' ' 93' ' ' GLY . 2.5 pp -140.36 -51.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.687 ' N ' HD12 ' A' ' 92' ' ' ILE . . . 48.57 -130.49 21.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -177.71 125.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -159.04 -172.42 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -159.86 173.37 16.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -55.11 153.08 7.04 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.53 1.144 . . . . 0.0 109.23 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -174.87 140.92 0.58 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -41.09 126.69 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.192 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -70.1 134.34 48.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.4 1.063 . . . . 0.0 109.302 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.19 145.82 52.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 mt -102.17 142.28 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.54 47.58 3.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.62 HG23 ' O ' ' A' ' 104' ' ' ILE . 8.2 tt -170.29 64.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.583 0.814 . . . . 0.0 109.241 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.63 -83.51 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.305 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -39.97 116.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 110.335 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -174.02 -56.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -113.93 148.83 36.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.871 HG12 HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -55.76 -32.33 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.462 ' CB ' ' OG1' ' A' ' 116' ' ' THR . 0.8 OUTLIER -60.31 -61.59 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.389 1.055 . . . . 0.0 110.0 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -32.22 71.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -63.1 -40.55 97.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.71 69.64 0.09 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 110' ' ' SER . . . 164.01 -152.2 21.92 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 146.61 37.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.767 . . . . 0.0 109.235 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.462 ' OG1' ' CB ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -112.28 127.43 55.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.741 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 14.6 p -115.24 132.32 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -165.38 66.77 0.21 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -37.77 154.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.456 ' NE1' ' O ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -111.46 -146.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 107.966 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.1 m -51.55 112.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.102 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.408 ' H ' HG23 ' A' ' 122' ' ' THR . 80.6 p -40.07 160.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -107.19 -176.68 3.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -53.63 -95.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.578 1.174 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.61 139.25 26.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 111.034 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.85 141.86 38.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -75.56 156.22 35.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 61.23 147.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -175.97 153.96 1.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.0 p -74.77 170.55 15.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.17 -64.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -168.02 173.01 8.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.0 tt -159.88 77.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.373 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -178.63 -57.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -101.13 -56.37 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.14 114.8 7.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.368 1.042 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -131.2 62.24 1.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 137' ' ' LYS . 89.3 m-85 -160.26 149.1 17.12 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.443 1.09 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.59 172.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.64 172.15 55.15 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.555 1.16 . . . . 0.0 110.993 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.92 164.03 27.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.58 165.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 15.5 mt -124.12 177.59 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -77.84 155.61 30.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.64 -51.37 9.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -48.36 113.97 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -116.24 113.54 23.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.96 124.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.72 170.11 5.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.02 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.51 -173.91 2.51 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.7 112.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 6.6 p -90.91 -168.54 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.434 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.428 ' O ' HD12 ' A' ' 156' ' ' ILE . 1.1 t70 -89.25 -14.75 35.18 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.456 ' HB2' ' CD ' ' A' ' 157' ' ' LYS . 0.8 OUTLIER -92.95 27.93 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -75.84 -32.37 59.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.428 HD12 ' O ' ' A' ' 153' ' ' ASP . 0.9 OUTLIER -66.49 -52.43 46.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' ' 154' ' ' ASP . 0.0 OUTLIER -50.19 -30.87 12.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 t -73.45 -45.34 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.865 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 92.1 t90 -61.17 -55.42 32.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.126 . . . . 0.0 107.998 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.923 HG23 HD11 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -57.23 -47.96 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.474 ' N ' ' CG1' ' A' ' 160' ' ' VAL . . . -57.51 -32.38 66.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -65.89 -41.06 92.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.865 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.4 OUTLIER -67.08 -53.37 31.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.461 ' HA ' ' NZ ' ' A' ' 164' ' ' LYS . 0.2 OUTLIER -58.18 -38.75 77.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.586 1.179 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 17.8 m -56.87 -65.41 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.085 . . . . 0.0 110.033 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.701 ' HB2' HG21 ' A' ' 117' ' ' VAL . 2.7 mm-40 -53.44 -55.37 25.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.886 ' CE1' HD13 ' A' ' 82' ' ' LEU . 21.5 m-30 -57.19 -18.2 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -95.61 -87.97 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 169' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.09 138.43 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.695 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -174.88 66.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.206 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.74 147.74 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.751 ' O ' HD23 ' A' ' 6' ' ' LEU . . . -139.61 -179.25 17.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -141.14 117.19 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.848 ' CE2' HD23 ' A' ' 44' ' ' LEU . 10.2 m-85 -127.65 133.29 49.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.606 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -132.75 177.93 7.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.62 -81.43 0.69 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.609 1.193 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.8 p -97.31 127.89 43.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.384 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -122.08 135.58 54.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.242 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.3 p -95.35 99.96 11.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.03 90.37 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.79 -78.28 0.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 0.8 . . . . 0.0 109.332 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -163.63 155.25 16.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.28 134.51 35.28 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 110.343 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 23.9 m -153.11 -68.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.931 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.708 ' O ' HG22 ' A' ' 22' ' ' ILE . 88.6 t -64.16 -47.34 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.56 -27.6 11.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.02 -38.71 61.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.522 HG23 HD13 ' A' ' 156' ' ' ILE . 2.2 mp -69.3 -56.16 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 18' ' ' VAL . 3.9 tp -58.67 -33.49 49.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.568 1.168 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -53.92 49.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.48 -24.58 67.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.64 ' HB3' HG21 ' A' ' 160' ' ' VAL . 13.6 mm-40 -75.28 -39.66 59.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.599 ' CE1' ' HD2' ' A' ' 164' ' ' LYS . 1.2 m-85 -77.18 1.94 16.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . 41.09 -162.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.427 ' CB ' HG22 ' A' ' 30' ' ' VAL . 14.9 m-20 47.22 -172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.747 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -96.84 -6.29 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 3' ' ' LYS . 7.7 m -57.88 98.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.624 ' CG1' HD21 ' A' ' 33' ' ' LEU . 76.0 t -157.04 81.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.587 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 22.0 p -116.5 98.85 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.892 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -119.09 167.4 11.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' VAL . 34.7 p80 -39.64 -29.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' LEU . 6.3 t70 -38.41 -31.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.422 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 33' ' ' LEU . 14.8 m -86.93 47.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.5 p -55.1 -18.68 5.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.95 -5.65 32.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.556 ' HB1' ' OD2' ' A' ' 43' ' ' ASP . . . -119.97 119.86 34.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.32 -168.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 71' ' ' SER . 1.6 m -63.9 -12.41 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 t -57.98 -27.72 63.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.556 ' OD2' ' HB1' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -71.18 -52.83 16.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.848 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.1 pp -66.0 -23.92 66.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.506 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -77.95 -31.09 50.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.6 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 30.6 t70 -70.54 -39.2 74.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.6 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -99.64 142.4 31.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.989 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.483 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -107.96 38.99 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.483 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -154.58 112.7 3.51 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.437 1.086 . . . . 0.0 111.057 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.669 HD22 ' CD1' ' A' ' 7' ' ' PHE . 15.6 mt -149.21 164.71 34.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 84' ' ' ALA . 2.7 mp -118.11 139.1 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -117.08 145.9 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.93 -90.83 0.15 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.3 p -179.92 150.27 0.54 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 162.19 37.22 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 57' ' ' TRP . 18.6 p -106.44 -57.37 2.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.598 1.186 . . . . 0.0 110.379 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.413 ' N ' ' OG1' ' A' ' 56' ' ' THR . 17.9 t90 -179.94 134.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' C ' HG22 ' A' ' 59' ' ' ILE . 7.6 t30 -178.42 154.42 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.652 HD13 ' C ' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -179.84 -40.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.616 ' O ' HD13 ' A' ' 59' ' ' ILE . . . 60.47 -120.9 24.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -160.82 -61.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.348 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.86 -69.67 0.08 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.13 123.0 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.359 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.69 -64.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 110.025 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.88 113.35 17.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.075 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -44.14 140.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.029 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -110.05 174.72 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.19 164.18 19.25 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 69' ' ' LEU . 9.9 tp -115.01 126.11 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.31 144.23 46.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.76 ' O ' HG12 ' A' ' 41' ' ' VAL . 6.0 p -89.51 53.33 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.047 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -105.35 161.33 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.389 1.055 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.797 HD22 ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -54.05 -27.07 30.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.688 ' N ' HD13 ' A' ' 73' ' ' LEU . 2.9 t70 -45.59 -26.34 0.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' LEU . 2.0 m-20 -87.93 -59.83 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.704 HG21 HD11 ' A' ' 44' ' ' LEU . 85.6 t -42.81 152.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.35 66.81 2.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CE2' ' HE3' ' A' ' 81' ' ' LYS . 2.0 m-30 -56.31 134.08 53.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -138.63 144.33 39.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 37.58 54.95 1.73 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.595 1.184 . . . . 0.0 110.974 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.931 ' NZ ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -122.89 171.14 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 0.813 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.2 pp -109.98 134.01 52.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.931 HG13 ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -132.61 119.81 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.862 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . . . -101.89 114.02 27.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.678 ' CD2' ' O ' ' A' ' 117' ' ' VAL . 1.2 p90 -100.9 133.2 45.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.66 ' HB2' ' CZ2' ' A' ' 159' ' ' TRP . 1.0 OUTLIER -102.16 106.11 16.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.31 145.38 15.92 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.512 ' OG1' ' CE1' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -160.69 158.12 28.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 0.802 . . . . 0.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.56 -148.71 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -114.4 126.93 55.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.337 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -168.12 146.81 4.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.49 78.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.61 150.06 16.87 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.583 1.177 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -152.87 132.54 13.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.561 0.801 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.46 171.36 14.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -103.9 156.88 17.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.209 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -69.85 137.36 51.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.366 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -168.69 102.35 0.4 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -105.64 124.8 50.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -174.44 -56.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.94 57.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.9 pt -122.06 155.39 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . 105.29 -67.86 0.26 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.502 ' O ' HG22 ' A' ' 104' ' ' ILE . 6.7 mt -67.82 70.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.0 mt -107.07 136.62 46.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.41 96.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.396 1.06 . . . . 0.0 110.24 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 105' ' ' LEU . 2.8 tp10 -167.95 -149.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.6 OUTLIER -97.0 -177.94 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 78' ' ' PHE . 8.2 mm -51.46 -32.25 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 m -40.8 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.74 -42.14 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 5.3 ttt180 -58.45 -48.8 79.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.224 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -44.28 -54.6 6.23 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.48 1.113 . . . . 0.0 111.07 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.15 -120.64 0.92 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.38 146.63 32.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 0.721 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -123.77 144.84 49.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.367 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.678 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 4.5 m -124.03 162.49 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.62 ' HA3' ' CZ ' ' A' ' 85' ' ' TYR . . . 152.4 44.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 121' ' ' SER . 0.3 OUTLIER -37.44 156.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 0.732 . . . . 0.0 111.024 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -131.99 -48.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.593 ' O ' ' CE2' ' A' ' 119' ' ' TYR . 28.8 t -99.58 -174.76 2.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.069 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.676 HG21 HE22 ' A' ' 148' ' ' GLN . 53.8 p -105.92 178.8 4.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.472 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.422 ' CB ' ' OH ' ' A' ' 119' ' ' TYR . 58.5 t0 -179.95 -63.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -98.4 174.89 28.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.565 1.166 . . . . 0.0 110.966 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.543 ' HE2' HD23 ' A' ' 143' ' ' LEU . 1.3 p90 -176.25 47.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.48 123.08 17.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -110.88 173.74 6.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -129.65 163.37 26.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.16 173.4 16.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -87.15 172.79 9.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -55.43 151.98 9.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.49 164.92 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -152.85 -178.83 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.226 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 135' ' ' ASN . 2.9 ptp180 -40.15 131.1 2.1 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.382 1.051 . . . . 0.0 110.263 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 134' ' ' ARG . 2.1 p-10 41.86 88.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -50.02 -178.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 139' ' ' VAL . 0.5 OUTLIER -157.69 -63.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -37.83 131.87 0.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 137' ' ' LYS . 52.4 t -135.19 151.62 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.71 -168.65 28.82 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.58 156.31 31.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -85.65 -173.87 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.18 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.543 HD23 ' HE2' ' A' ' 125' ' ' TYR . 0.8 OUTLIER -107.46 164.77 11.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -110.43 94.73 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 -51.63 8.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.568 1.167 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 147' ' ' ASN . 2.9 m-20 -40.43 113.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 146' ' ' ASP . 10.4 t30 35.88 87.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.676 HE22 HG21 ' A' ' 122' ' ' THR . 4.6 tt0 -120.2 147.48 44.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.0 145.02 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.968 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -97.27 110.4 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 109.285 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.96 75.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.861 HG23 ' H ' ' A' ' 154' ' ' ASP . 13.9 t -139.56 -171.14 3.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.509 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.46 -29.26 64.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.443 1.089 . . . . 0.0 109.249 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.861 ' H ' HG23 ' A' ' 152' ' ' THR . 75.5 m-20 -92.45 34.13 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -69.82 -56.72 6.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.522 HD13 HG23 ' A' ' 21' ' ' ILE . 1.0 OUTLIER -66.3 -39.51 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 0.0 OUTLIER -67.62 -31.23 71.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 154' ' ' ASP . 3.1 m -67.77 -73.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.771 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 20.0 t90 -42.64 -55.24 3.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 108.022 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.869 HG13 ' HZ1' ' A' ' 164' ' ' LYS . 40.9 t -50.64 -53.71 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.53 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -53.29 -30.72 40.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.33 -48.29 35.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.771 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -59.1 -56.53 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.869 ' HZ1' HG13 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -62.55 -30.99 71.71 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.526 1.142 . . . . 0.0 109.229 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.4 t -58.84 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.45 ' HB3' HG11 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -45.07 -57.84 3.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.862 ' CE2' ' HB2' ' A' ' 84' ' ' ALA . 22.5 m-30 -55.57 -21.23 16.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.064 . . . . 0.0 111.03 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -87.44 -78.2 1.26 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.396 0.703 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.588 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.706 ' O ' ' C ' ' A' ' 3' ' ' LYS . 6.7 tttt -132.86 161.62 33.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.356 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.892 ' HA ' HG12 ' A' ' 30' ' ' VAL . 1.9 tptm 6.02 75.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.645 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -76.98 137.58 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.656 ' CA ' HD23 ' A' ' 50' ' ' LEU . . . -131.12 179.72 16.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.971 HD12 ' O ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -139.13 117.27 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.336 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.824 ' CE2' HD23 ' A' ' 44' ' ' LEU . 8.5 m-85 -122.89 122.84 39.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.651 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -126.95 150.57 49.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.6 -55.67 19.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.0 p -47.06 149.89 0.86 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 0.719 . . . . 0.0 110.415 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -59.36 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 12' ' ' THR . 1.7 t -165.61 80.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.427 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.81 -56.11 5.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.566 1.166 . . . . 0.0 110.963 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.05 139.27 52.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.1 m -54.28 156.1 3.39 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.72 111.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.91 -49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.635 1.209 . . . . 0.0 109.948 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.899 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.6 p -55.08 -31.87 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -63.64 -27.3 69.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -38.64 62.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.848 HG22 ' OE1' ' A' ' 25' ' ' GLU . 2.7 mp -69.69 -56.65 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.899 HG22 ' O ' ' A' ' 18' ' ' VAL . 5.5 tp -57.3 -34.65 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.629 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.58 -53.21 59.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.379 1.049 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.27 -38.47 65.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.974 ' HB3' HG21 ' A' ' 160' ' ' VAL . 16.4 mt-10 -62.45 -50.22 72.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.263 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.645 ' CE1' HD13 ' A' ' 4' ' ' ILE . 2.2 m-85 -57.46 -52.65 64.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . 98.92 -81.96 0.58 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.441 1.088 . . . . 0.0 111.067 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.854 ' HB3' HG22 ' A' ' 30' ' ' VAL . 7.8 m-20 -39.3 157.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.62 -17.04 30.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.892 HG12 ' HA ' ' A' ' 3' ' ' LYS . 2.8 m -47.92 100.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.714 ' O ' HG12 ' A' ' 31' ' ' VAL . 3.0 t -155.31 81.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.971 ' O ' HD12 ' A' ' 6' ' ' LEU . 2.9 p -111.71 156.56 21.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.784 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -158.97 164.0 35.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.097 . . . . 0.0 109.229 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.558 ' HD2' ' N ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -64.76 -11.48 37.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.587 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.784 ' HB2' HD13 ' A' ' 33' ' ' LEU . 33.7 t0 -38.55 -31.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.364 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 33' ' ' LEU . 5.9 m -80.7 54.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -68.11 -8.29 36.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.941 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -70.9 -8.11 50.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.419 1.075 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.7 -171.59 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.373 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -106.24 -169.2 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.921 HG11 ' HB3' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -71.01 -10.87 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -55.57 -27.83 51.44 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -68.27 -54.19 19.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.824 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.9 pp -66.94 -23.43 65.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.41 ' HB2' HG23 ' A' ' 76' ' ' VAL . 43.9 t30 -74.94 -31.23 61.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.475 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -63.13 -39.89 96.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.638 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.26 144.73 29.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.62 1.2 . . . . 0.0 111.063 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.49 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 4.8 mp0 -107.67 37.42 2.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.607 1.192 . . . . 0.0 110.275 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.588 ' CD2' ' HB3' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -155.23 114.16 3.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.656 HD23 ' CA ' ' A' ' 5' ' ' GLY . 34.6 mt -149.43 165.39 32.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.726 HG21 ' HH2' ' A' ' 159' ' ' TRP . 2.7 mp -118.97 142.79 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.435 HG13 HG13 ' A' ' 83' ' ' VAL . 2.0 mt -125.02 138.18 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.98 -88.84 1.04 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 t -157.46 95.18 2.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -68.2 124.96 24.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.21 169.5 11.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.043 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.65 -179.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mt -71.76 -67.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.15 -71.3 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.8 164.75 17.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.4 0.706 . . . . 0.0 110.336 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.9 tp -121.04 -61.93 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -90.19 138.27 31.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.604 1.19 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.99 150.95 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.598 1.186 . . . . 0.0 110.051 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.36 161.1 33.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -71.84 96.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 108.072 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.16 75.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.33 140.19 7.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.56 1.162 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.9 87.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 0.807 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -142.54 177.97 7.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.0 t -118.03 47.26 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -105.37 148.12 27.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.644 HD12 HG21 ' A' ' 109' ' ' ILE . 1.8 pt? -58.01 -26.22 62.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -45.4 -25.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.921 ' HB3' HG11 ' A' ' 41' ' ' VAL . 1.0 OUTLIER -91.05 -61.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.23 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.814 ' HB ' HD11 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -44.78 168.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.401 1.063 . . . . 0.0 109.257 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -123.53 66.53 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.753 ' CE1' HG11 ' A' ' 76' ' ' VAL . 4.4 m-30 -61.41 106.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 111.059 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -134.6 66.85 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.1 44.01 0.12 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.566 ' HD2' ' CG ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -134.36 166.97 21.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.06 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -95.55 136.4 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 2.9 t -137.01 128.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.829 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.69 114.07 27.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -97.1 115.79 28.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.429 1.081 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -71.06 -64.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.89 76.19 1.17 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.577 1.173 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 t -69.61 -177.73 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 0.737 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -151.46 91.47 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.05 -63.88 1.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.79 152.15 24.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.73 147.91 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.216 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.51 113.98 1.0 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.559 1.162 . . . . 0.0 111.045 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -173.76 101.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 0.816 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.43 59.77 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.407 1.067 . . . . 0.0 109.253 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -179.08 163.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -140.8 91.98 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.67 103.09 0.08 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -171.36 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 1.178 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.84 106.99 13.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.196 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.48 -68.29 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.1 mm -86.88 -70.04 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.54 69.52 1.24 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.2 tp -57.47 151.98 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.18 163.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.18 148.66 48.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -69.37 60.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -131.91 154.24 49.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.66 HD12 ' HB2' ' A' ' 78' ' ' PHE . 35.6 mm -52.14 -32.6 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.453 ' CA ' ' OG1' ' A' ' 116' ' ' THR . 3.1 m -41.39 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.6 -45.43 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 4.4 ttt-85 -59.05 -17.12 22.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -106.47 39.94 2.68 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.548 1.155 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 106.12 -112.14 3.81 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -126.69 147.69 49.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.453 ' OG1' ' CA ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -130.12 133.93 46.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.102 . . . . 0.0 110.368 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.829 HG22 ' HA ' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -102.06 146.09 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 138.63 66.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -51.33 145.26 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -165.88 -60.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 108.03 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 p -61.75 143.33 56.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.8 m -147.99 140.06 24.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.15 147.28 7.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -138.46 139.58 10.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.585 1.178 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -116.95 154.75 30.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.427 0.722 . . . . 0.0 111.085 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -41.53 151.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -111.97 -46.7 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -52.04 160.33 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.561 1.163 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -105.61 162.79 13.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.6 m -52.73 170.38 0.07 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -128.55 173.12 10.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -171.82 161.11 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.733 HD22 ' C ' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -129.61 150.55 50.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -58.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 136' ' ' GLY . 7.1 p30 -169.79 -47.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 135' ' ' ASN . . . -86.85 172.07 43.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.459 1.099 . . . . 0.0 111.071 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.62 140.27 3.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.557 0.798 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -162.49 153.88 17.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 111.039 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 33.5 m -107.82 175.74 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 0.0 109.215 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.14 153.76 25.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.19 149.97 51.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 0.767 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.63 162.36 34.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.8 mt -112.68 177.13 4.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -77.04 101.29 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.64 -38.73 72.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 110.266 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.24 153.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.26 157.74 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -85.34 150.18 24.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.04 160.99 14.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.69 140.8 50.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.555 1.159 . . . . 0.0 109.385 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.56 163.32 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 19.1 p -140.21 177.44 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.38 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -85.71 -25.85 26.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -91.6 38.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 23.7 ttt-85 -75.74 -56.65 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.692 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.4 OUTLIER -51.35 -53.45 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.552 ' NZ ' ' HB2' ' A' ' 161' ' ' ALA . 0.0 OUTLIER -58.6 -30.34 67.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -67.82 -63.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.953 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.915 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 21.2 t90 -42.14 -56.74 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.974 HG21 ' HB3' ' A' ' 25' ' ' GLU . 25.6 t -51.67 -51.92 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.552 ' HB2' ' NZ ' ' A' ' 157' ' ' LYS . . . -52.22 -31.96 34.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -71.95 -49.4 37.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 110.331 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.915 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -59.74 -54.76 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -61.2 -36.44 79.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.7 OUTLIER -51.85 -62.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.906 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 167' ' ' PHE . 7.9 tp10 -67.88 -56.95 7.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 1.06 ' CE1' HD13 ' A' ' 82' ' ' LEU . 11.4 m-30 -37.64 -46.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.13 -72.88 1.04 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.568 1.167 . . . . 0.0 110.931 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 O-C-N 124.488 0.758 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.96 137.33 51.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.24 36.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.741 ' CG2' HD11 ' A' ' 51' ' ' ILE . 3.3 mp -73.37 154.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.222 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.819 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -143.03 169.94 25.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.614 HD12 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -134.07 116.41 15.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.039 ' CD2' HD23 ' A' ' 44' ' ' LEU . 4.9 m-85 -118.04 119.1 33.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.54 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 1.4 p90 -124.99 179.87 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.5 16.04 9.12 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.488 1.117 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -108.32 -140.79 0.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 0.812 . . . . 0.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -120.23 -150.65 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.42 1.075 . . . . 0.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.403 ' H ' HG23 ' A' ' 12' ' ' THR . 32.5 p -63.34 -154.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.14 -129.46 3.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.437 1.085 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 -80.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 1.043 HG22 HG22 ' A' ' 18' ' ' VAL . 6.9 t -45.61 162.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.43 -91.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.288 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.462 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 16.3 m -100.66 80.87 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.944 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.043 HG22 HG22 ' A' ' 15' ' ' THR . 6.4 t -57.73 -41.36 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.25 -38.14 50.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -31.61 66.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.586 1.179 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.161 ' CG2' HD13 ' A' ' 156' ' ' ILE . 1.9 mp -68.87 -56.32 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.876 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 6.1 tp -55.54 -38.02 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.07 -53.84 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.31 -20.63 65.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.813 ' OE2' ' CE ' ' A' ' 157' ' ' LYS . 5.2 mm-40 -76.69 -49.8 15.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.948 ' CE1' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -64.24 -10.33 22.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . 42.82 83.11 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.712 ' HB3' HG12 ' A' ' 30' ' ' VAL . 5.5 m-20 155.88 -174.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.584 0.814 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 31' ' ' VAL . 1.3 m-20 -82.56 -20.93 35.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.712 HG12 ' HB3' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -47.34 97.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 30' ' ' VAL . 71.8 t -158.27 80.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.602 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 29.1 p -119.71 98.83 6.3 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.411 1.069 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.983 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -105.99 156.53 18.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.472 ' CD2' ' N ' ' A' ' 35' ' ' ASP . 0.1 OUTLIER -45.31 -26.04 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.532 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.983 ' HB2' HD13 ' A' ' 33' ' ' LEU . 3.7 t70 -38.19 -31.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 36' ' ' VAL . 9.7 p -76.67 56.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.1 t -74.05 -2.74 25.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.983 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.16 -5.5 32.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.591 1.182 . . . . 0.0 110.204 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.505 ' HB3' ' CG ' ' A' ' 43' ' ' ASP . . . -136.93 138.1 40.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -169.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 71' ' ' SER . 29.0 m -64.61 -12.33 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.8 p -59.07 -27.58 65.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.457 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.562 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -57.81 -53.71 55.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.039 HD23 ' CD2' ' A' ' 7' ' ' PHE . 3.6 pp -73.69 -23.08 59.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.614 ' N ' HD12 ' A' ' 44' ' ' LEU . 60.2 t30 -66.26 -30.7 71.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.414 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 11.9 m-20 -67.93 -36.89 80.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -96.34 130.34 43.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 111.016 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -90.25 29.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.603 1.189 . . . . 0.0 110.294 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.836 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -147.26 112.83 5.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 49' ' ' TYR . 4.3 mm? -134.53 161.26 35.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.595 1.184 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.819 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.9 mp -128.89 148.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.884 HD11 ' CE1' ' A' ' 85' ' ' TYR . 1.6 pt -140.82 167.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.424 ' CA ' ' HB3' ' A' ' 86' ' ' PHE . . . -158.58 59.9 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.15 92.87 5.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 69.23 5.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.607 1.846 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -38.83 155.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.414 1.072 . . . . 0.0 110.364 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -135.6 -49.01 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 108.021 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 52.98 175.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.236 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -156.1 -45.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.99 -179.65 21.32 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.528 1.142 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -154.04 -53.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.55 141.41 28.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.56 -59.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.606 1.192 . . . . 0.0 110.402 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.04 -63.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.969 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.11 163.69 13.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.6 p90 -116.43 157.16 25.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -148.07 134.11 19.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.94 129.98 3.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.586 1.179 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.717 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.5 pp -173.96 69.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 0.765 . . . . 0.0 109.199 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -138.04 132.34 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.684 ' O ' HG12 ' A' ' 41' ' ' VAL . 5.9 p -106.85 52.86 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.976 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.22 150.15 25.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -54.15 -27.27 32.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.837 ' N ' HD13 ' A' ' 73' ' ' LEU . 3.2 t70 -49.45 -23.82 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 73' ' ' LEU . 1.0 OUTLIER -90.39 -55.47 3.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.56 HG21 HD11 ' A' ' 44' ' ' LEU . 89.2 t -40.38 139.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.35 57.18 1.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CD2' HD23 ' A' ' 73' ' ' LEU . 1.2 m-85 -55.68 110.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 111.031 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -65.26 -153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.08 58.54 0.23 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 79' ' ' ASN . 2.0 mttt -93.85 172.01 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.812 HD12 ' C ' ' A' ' 82' ' ' LEU . 0.3 OUTLIER -94.9 131.47 40.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 2.8 t -132.97 148.07 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 1.025 ' HA ' HG12 ' A' ' 117' ' ' VAL . . . -115.38 136.47 53.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.884 ' CE1' HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -117.15 112.44 20.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.071 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.538 ' HD2' ' CE2' ' A' ' 159' ' ' TRP . 5.4 t80 -88.12 113.51 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.71 137.52 9.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.2 p -104.09 108.2 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.795 . . . . 0.0 110.409 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -136.89 47.48 0.96 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.537 ' HB3' HD12 ' A' ' 92' ' ' ILE . 11.5 m-20 -149.78 117.35 6.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.269 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.85 58.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 90' ' ' ASP . 4.3 mt -89.92 -75.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.22 -153.85 22.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -168.32 97.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.94 147.53 48.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -47.34 113.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.198 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.26 128.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -116.51 -11.58 11.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.57 152.55 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.63 139.71 58.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.13 159.09 15.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 tt -144.46 131.71 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 109.26 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -137.38 -156.8 7.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.8 mm -128.8 87.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.258 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.527 ' O ' ' C ' ' A' ' 106' ' ' GLU . 1.9 mt 179.94 37.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.38 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.527 ' C ' ' O ' ' A' ' 105' ' ' LEU . 3.5 mt-10 -27.24 -45.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 105' ' ' LEU . 3.9 mt-10 -37.52 -52.15 1.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 105' ' ' LEU . 19.4 mmtm -68.48 80.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.471 HG23 ' HA3' ' A' ' 113' ' ' GLY . 20.7 mm -51.82 -30.6 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.688 ' O ' HG23 ' A' ' 116' ' ' THR . 73.5 m -35.14 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.23 -30.99 13.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.35 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' HG3' ' C ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -88.29 19.67 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.226 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.471 ' HA3' HG23 ' A' ' 109' ' ' ILE . . . -130.79 7.31 5.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.28 -119.84 4.51 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -113.08 158.74 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 0.713 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 110' ' ' SER . 1.4 p -133.69 133.51 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 1.025 HG12 ' HA ' ' A' ' 84' ' ' ALA . 4.7 p -100.09 148.89 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -178.29 -149.08 7.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -116.32 118.71 33.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -117.83 -60.24 1.83 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m -114.5 108.91 17.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.079 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 61.7 p -51.34 119.32 3.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.388 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 116.8 7.21 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 161.55 106.65 0.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -77.45 89.19 3.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -44.38 117.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.456 ' CZ ' ' CZ ' ' A' ' 138' ' ' PHE . 0.6 OUTLIER -119.54 -58.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -177.24 88.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.89 103.15 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.0 m -151.53 89.54 1.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.58 76.21 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -143.06 171.9 13.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.239 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 mp -45.48 -61.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -73.46 143.08 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 59.8 t30 177.91 139.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 152.92 85.05 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.17 154.94 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.456 ' CZ ' ' CZ ' ' A' ' 127' ' ' PHE . 0.5 OUTLIER -164.36 41.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.68 154.54 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.37 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 122.57 130.79 3.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -74.01 178.07 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 0.723 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -44.36 126.4 5.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.6 mt -112.58 -178.22 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -57.23 102.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -30.07 62.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.59 110.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.218 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -133.15 165.04 25.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -77.77 164.12 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.24 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 72.1 m -99.96 171.98 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.85 161.46 9.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.43 HD23 ' H ' ' A' ' 151' ' ' LEU . 1.0 OUTLIER -93.02 -169.2 2.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 15.1 t -168.28 147.47 4.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.483 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 155' ' ' ARG . 8.4 t0 -53.06 -58.83 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.466 ' HB3' ' CG ' ' A' ' 157' ' ' LYS . 14.3 m-20 -68.54 68.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 153' ' ' ASP . 39.3 ttp180 -75.9 -56.24 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 1.161 HD13 ' CG2' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -54.56 -32.3 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 109.246 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.813 ' CE ' ' OE2' ' A' ' 25' ' ' GLU . 9.8 mtpt -67.68 -39.79 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.3 p -69.31 -46.98 65.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 110.047 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.785 ' CH2' HG21 ' A' ' 51' ' ' ILE . 18.8 t90 -60.19 -63.63 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.876 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 50.6 t -50.84 -32.42 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.385 1.053 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -70.71 -31.61 68.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -73.53 -55.85 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.825 ' HA ' HG21 ' A' ' 117' ' ' VAL . 0.1 OUTLIER -58.14 -53.9 52.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.948 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -58.77 -38.94 79.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.0 OUTLIER -52.85 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.77 ' HG3' HG23 ' A' ' 117' ' ' VAL . 5.8 mt-10 -48.29 -59.72 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.356 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.798 ' CE1' HD13 ' A' ' 82' ' ' LEU . 17.4 m-30 -47.28 -23.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -80.67 -72.67 1.21 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.346 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.73 129.23 42.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.865 ' HA ' HG12 ' A' ' 30' ' ' VAL . 8.9 tttt -174.8 66.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.443 HG21 ' CE1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -73.91 146.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.335 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.638 ' CA ' HD23 ' A' ' 50' ' ' LEU . . . -138.45 -179.14 16.88 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -140.65 115.9 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.946 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.5 m-85 -127.45 118.88 24.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.7 OUTLIER -120.22 179.95 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.947 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . -88.28 157.37 27.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.8 m -38.69 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 110.414 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.694 ' O ' HG23 ' A' ' 12' ' ' THR . 4.4 tt0 -178.77 125.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.239 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 11' ' ' GLN . 2.3 p -159.98 167.61 27.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.419 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.82 118.87 4.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.113 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.68 -97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.217 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.754 HG22 ' N ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -175.23 -89.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.627 1.204 . . . . 0.0 110.39 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.754 ' N ' HG22 ' A' ' 15' ' ' THR . 6.8 tp10 -54.87 162.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 m -106.08 74.6 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.015 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.7 ' O ' HG22 ' A' ' 22' ' ' ILE . 85.5 t -62.0 -31.78 52.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.66 -27.11 10.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 109.235 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.9 -42.22 40.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.093 . . . . 0.0 110.276 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.609 ' N ' HD12 ' A' ' 21' ' ' ILE . 1.7 mp -65.19 -53.33 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.7 HG22 ' O ' ' A' ' 18' ' ' VAL . 4.4 tp -59.89 -40.74 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.53 -54.27 48.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.587 1.179 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -22.17 66.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.783 ' HB3' HG21 ' A' ' 160' ' ' VAL . 4.3 mm-40 -77.77 -50.06 13.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.731 ' CZ ' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -60.12 -13.76 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.9 -172.21 15.72 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.545 ' CB ' HG22 ' A' ' 30' ' ' VAL . 2.4 m120 47.24 -172.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.09 -6.52 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.865 HG12 ' HA ' ' A' ' 3' ' ' LYS . 1.3 m -52.48 99.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 30' ' ' VAL . 66.6 t -156.46 83.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.546 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 36.7 p -115.96 99.92 7.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.98 HD13 ' CB ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -102.09 166.48 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.638 ' CD2' ' C ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -69.32 -8.59 47.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.98 ' CB ' HD13 ' A' ' 33' ' ' LEU . 8.3 t70 -39.75 -30.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' A' ' 34' ' ' HIS . 10.6 m -86.15 52.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.3 t -64.76 -11.25 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.023 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -71.22 -5.48 32.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.95 -171.6 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.386 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -101.46 -174.76 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.639 HG12 ' HA ' ' A' ' 71' ' ' SER . 3.7 m -78.58 -12.18 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 t -58.5 -28.09 65.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.408 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.545 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -58.41 -52.35 65.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.039 HD12 ' N ' ' A' ' 45' ' ' ASN . 3.7 pp -74.06 -45.43 49.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 1.039 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -46.44 -29.66 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.265 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 98.2 m-20 -65.94 -45.46 81.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.633 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.13 145.85 26.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.426 1.079 . . . . 0.0 110.99 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.617 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 6.3 pm0 -108.27 28.28 8.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.225 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.617 ' CE1' ' HG2' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -138.34 111.99 8.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.78 HD22 ' CD1' ' A' ' 7' ' ' PHE . 13.6 mt -148.68 165.9 29.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 109.394 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.779 HG12 ' HB3' ' A' ' 84' ' ' ALA . 2.8 mp -122.0 145.69 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.16 145.96 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.24 -54.22 0.55 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.429 1.081 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 m -149.07 159.09 38.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -62.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.99 -50.17 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.42 1.075 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 179.93 166.03 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 108.052 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -74.43 105.41 5.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.0 tt -76.35 157.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.19 -79.74 0.89 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -160.09 103.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.546 0.791 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.75 139.86 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.02 166.26 23.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -133.34 159.74 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -90.63 157.15 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -126.75 122.02 33.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 108.003 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 180.0 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.345 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 131.59 167.42 11.89 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.434 HD23 ' CE2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -152.54 -46.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 0.817 . . . . 0.0 109.277 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.434 ' CE2' HD23 ' A' ' 69' ' ' LEU . 71.5 m-85 -157.67 -168.82 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 1.062 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.639 ' HA ' HG12 ' A' ' 41' ' ' VAL . 10.9 t -81.32 52.71 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.955 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -105.5 144.15 32.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' HA ' HG12 ' A' ' 76' ' ' VAL . 1.7 pt? -53.4 -26.43 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -45.41 -25.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.467 ' CB ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -95.08 -53.78 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.783 HG11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -47.88 174.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.373 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.06 70.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.783 ' CE1' HG11 ' A' ' 76' ' ' VAL . 5.4 m-30 -65.21 122.28 16.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -140.89 79.25 1.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.411 ' HA2' ' N ' ' A' ' 114' ' ' GLY . . . 108.46 59.38 0.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.411 1.069 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.69 ' CD ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.58 172.82 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.9 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -101.4 135.08 43.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.69 HG23 ' CD ' ' A' ' 81' ' ' LYS . 3.5 t -136.85 132.96 48.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.779 ' HB3' HG12 ' A' ' 51' ' ' ILE . . . -101.78 147.63 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -115.65 119.77 37.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.542 ' HA ' ' CZ2' ' A' ' 159' ' ' TRP . 76.8 t80 -56.79 125.52 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -37.91 136.67 0.85 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.416 1.073 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 t -173.07 128.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.05 -112.52 2.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.59 87.28 6.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.79 . . . . 0.0 109.344 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -107.83 4.85 25.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 92' ' ' ILE . 30.4 mm -96.59 -64.28 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.057 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.45 109.65 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -154.78 93.55 1.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.6 130.25 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -147.06 98.6 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.224 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -81.52 104.71 12.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -178.96 102.33 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.81 146.46 27.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 0.0 110.21 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.98 113.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.94 112.02 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.514 HG23 ' N ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER -159.68 -54.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.514 ' N ' HG23 ' A' ' 102' ' ' ILE . . . 63.2 137.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.569 1.168 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.1 mm -117.58 -62.59 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.1 113.65 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -59.15 107.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -124.92 -91.19 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -74.65 151.5 39.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.6 1.188 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.664 HG22 ' HE2' ' A' ' 81' ' ' LYS . 1.8 mp -51.76 -40.88 28.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.489 ' CB ' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER -53.21 -57.06 11.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.014 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -81.16 -2.52 48.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 110.245 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 108' ' ' LYS . 1.1 ttt85 -75.2 -48.85 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.19 126.51 0.95 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.362 1.039 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 128.22 -144.98 15.7 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.16 146.5 45.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.608 0.828 . . . . 0.0 109.286 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.489 HG21 ' CB ' ' A' ' 110' ' ' SER . 12.5 p -120.54 122.51 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.683 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 9.3 p -100.05 129.68 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -168.34 -158.6 12.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.05 96.65 7.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -176.2 -67.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.155 . . . . 0.0 108.014 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.5 m -41.93 -55.53 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.07 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.4 t -39.64 133.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.52 -64.11 1.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 131.36 -65.9 0.59 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.529 ' CE1' ' O ' ' A' ' 126' ' ' ASP . 12.3 t80 -47.89 138.46 8.77 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 0.773 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.529 ' O ' ' CE1' ' A' ' 125' ' ' TYR . 0.2 OUTLIER -112.59 167.34 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.0 171.07 7.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 62.75 150.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -115.03 173.6 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 28.6 t -99.85 -62.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.53 139.49 53.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -102.29 -78.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.846 ' HB3' HG21 ' A' ' 139' ' ' VAL . 0.2 OUTLIER -159.57 129.37 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.516 ' N ' HD13 ' A' ' 133' ' ' LEU . 0.0 OUTLIER -68.78 85.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 172.15 147.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -83.87 59.28 4.97 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -138.39 173.79 11.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.418 ' O ' HG13 ' A' ' 139' ' ' VAL . 0.9 OUTLIER -73.64 116.71 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.938 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.846 HG21 ' HB3' ' A' ' 133' ' ' LEU . 15.4 m -152.51 179.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 170.86 136.26 2.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -105.16 174.31 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -132.69 153.26 51.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.93 166.38 10.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.41 99.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -56.74 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -45.7 138.44 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.25 155.01 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.398 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -137.59 144.78 42.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.632 1.207 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.63 140.78 21.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -163.18 145.65 10.2 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.3 tp -48.14 150.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 17.8 m -133.49 128.41 35.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.73 -50.95 70.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.426 ' HB3' ' CG ' ' A' ' 157' ' ' LYS . 28.0 m-20 -85.43 80.9 8.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -50.13 27.61 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.618 1.199 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.666 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.84 -40.93 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 4.4 mttm -56.58 -32.09 64.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 159' ' ' TRP . 0.5 OUTLIER -76.84 -71.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.85 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 27.9 t90 -42.16 -56.7 2.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 108.031 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 25' ' ' GLU . 85.4 t -50.46 -52.1 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -54.03 -31.34 51.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.403 ' O ' HG21 ' A' ' 117' ' ' VAL . 51.0 tp60 -72.76 -47.97 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.85 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.7 OUTLIER -59.23 -54.67 44.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.44 ' HA ' ' NZ ' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -63.97 -34.33 77.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.37 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.9 OUTLIER -53.03 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.454 ' HB2' HG23 ' A' ' 117' ' ' VAL . 15.4 tp10 -52.62 -59.14 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 0.0 110.25 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.9 ' CE1' HD13 ' A' ' 82' ' ' LEU . 15.1 m-30 -46.56 -23.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . 138.56 89.41 0.2 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 168' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.224 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.28 125.71 44.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.862 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -173.07 65.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.581 HG22 HD11 ' A' ' 51' ' ' ILE . 1.1 mp -73.86 152.82 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.573 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -143.76 178.85 21.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -135.56 115.79 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 0.776 . . . . 0.0 109.231 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.695 ' CD1' HD13 ' A' ' 50' ' ' LEU . 6.7 m-85 -124.06 113.58 18.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.578 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -122.75 179.93 4.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 111.089 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.702 ' O ' HG23 ' A' ' 10' ' ' THR . . . -86.19 -40.57 7.4 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.558 1.162 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 9' ' ' GLY . 2.3 p -159.82 155.49 25.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.405 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.558 ' HB2' ' CD2' ' A' ' 8' ' ' TYR . 1.2 tp60 -178.33 -178.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.539 HG22 ' N ' ' A' ' 13' ' ' GLY . 16.2 m -145.89 -101.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.539 ' N ' HG22 ' A' ' 12' ' ' THR . . . 168.66 -157.99 30.41 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 15' ' ' THR . 1.5 ttpt -152.19 -99.34 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 0.715 . . . . 0.0 109.256 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.451 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 10.6 t -59.01 -153.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' N ' ' OG1' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.79 -48.75 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.423 1.077 . . . . 0.0 110.284 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.469 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -179.88 106.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -31.82 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . . . -53.62 -50.03 66.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 109.233 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.34 -30.28 71.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -65.09 -56.26 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.157 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 7.1 tp -54.46 -44.43 67.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.163 . . . . 0.0 109.388 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.857 HH21 HD21 ' A' ' 33' ' ' LEU . 74.7 mtt180 -52.81 -50.52 63.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -56.44 -38.55 71.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.609 ' CB ' HG11 ' A' ' 160' ' ' VAL . 33.4 mm-40 -63.36 -50.06 71.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 1.194 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 2.1 m-85 -62.42 -44.84 95.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . 86.87 -167.48 38.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.557 1.161 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.523 ' CB ' HG22 ' A' ' 30' ' ' VAL . 7.5 m-20 46.86 -171.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 0.723 . . . . 0.0 109.24 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.547 ' O ' HG22 ' A' ' 31' ' ' VAL . 19.2 m-20 -90.38 -6.52 54.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.862 HG12 ' HA ' ' A' ' 3' ' ' LYS . 3.3 m -65.23 99.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 29' ' ' ASP . 20.9 m -156.27 81.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.573 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 34.9 p -118.2 100.14 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.355 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.887 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -107.29 161.22 14.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.517 ' CD2' ' CZ ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -51.25 -21.82 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.691 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.641 ' HB2' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.22 -30.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.541 1.151 . . . . 0.0 109.23 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.887 HG22 ' O ' ' A' ' 33' ' ' LEU . 10.9 m -78.37 55.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.0 t -74.13 -3.03 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.052 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -71.13 -14.08 62.17 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.54 -171.64 1.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -104.82 173.31 6.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.236 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.784 HG11 ' HB2' ' A' ' 75' ' ' ASP . 7.5 m -53.73 -20.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.404 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 t -53.64 -30.25 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.599 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -49.49 -49.24 46.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.952 HD12 ' CE1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -76.26 -38.94 55.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -46.16 -29.14 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.503 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 99.4 m-20 -78.12 -45.94 22.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.63 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -95.17 120.73 35.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.626 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 4.2 pm0 -93.95 36.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.626 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -145.37 113.05 6.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.889 ' C ' HD13 ' A' ' 51' ' ' ILE . 69.1 mt -150.74 164.26 36.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.056 HG21 HD13 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -118.13 159.51 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 7' ' ' PHE . 1.4 pt -147.03 138.73 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.47 -74.41 1.13 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.12 . . . . 0.0 111.051 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 m -167.29 150.55 6.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -88.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.1 m -138.42 -56.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.334 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.485 ' CG ' ' O ' ' A' ' 57' ' ' TRP . 19.4 p-90 -176.02 61.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -125.5 135.62 52.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.621 ' H ' HD13 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -133.96 146.26 31.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.262 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.44 163.8 36.59 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.437 1.086 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.88 -59.5 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.244 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -60.97 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.35 163.16 32.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.483 ' O ' ' HE3' ' A' ' 108' ' ' LYS . 5.8 t -166.29 136.81 3.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.013 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -147.85 165.89 29.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -174.86 132.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.059 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -71.39 148.55 46.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.89 -167.89 33.43 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.427 1.079 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.67 85.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.787 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -138.79 178.1 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.068 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.747 ' C ' HG12 ' A' ' 41' ' ' VAL . 9.4 t -107.59 45.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.019 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.18 -173.25 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.197 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.802 HD22 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -53.95 -26.32 24.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.802 ' N ' HD22 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -45.58 -26.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.784 ' HB2' HG11 ' A' ' 41' ' ' VAL . 4.1 m-20 -99.62 -33.87 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.743 HG21 HD11 ' A' ' 44' ' ' LEU . 12.1 t -75.24 138.14 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.414 1.071 . . . . 0.0 109.348 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.03 51.16 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.952 ' CE1' HD12 ' A' ' 44' ' ' LEU . 1.1 m-30 -50.69 97.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.617 ' HA ' ' HA2' ' A' ' 113' ' ' GLY . 1.7 m-80 -133.82 60.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.421 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . 137.04 58.46 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.621 ' HG3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -142.04 168.37 19.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.364 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.2 OUTLIER -97.99 129.11 44.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.518 HG23 HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER -137.29 130.59 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 1.112 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -101.56 142.04 33.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 0.1 OUTLIER -121.58 144.82 48.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 1.146 ' CD2' ' CD1' ' A' ' 159' ' ' TRP . 5.8 t80 -91.0 -47.5 7.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.498 ' C ' HG23 ' A' ' 88' ' ' THR . . . -169.85 154.92 24.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.498 HG23 ' C ' ' A' ' 87' ' ' GLY . 26.1 p -156.92 -166.32 2.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 110.38 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.75 149.22 20.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.15 148.68 42.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 0.818 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 179.99 160.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.511 HG23 ' N ' ' A' ' 93' ' ' GLY . 1.4 tt -41.33 -57.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.511 ' N ' HG23 ' A' ' 92' ' ' ILE . . . 62.39 122.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -125.03 93.88 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 111.075 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.94 142.97 57.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -108.22 148.97 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 96' ' ' ASP . 12.6 t-20 75.6 160.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -77.16 168.39 20.15 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.29 125.64 27.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.1 t0 179.99 123.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.57 -51.23 21.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.374 1.046 . . . . 0.0 109.266 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.522 HD12 ' H ' ' A' ' 102' ' ' ILE . 5.1 mp -78.88 125.79 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' ILE . . . 137.19 -90.15 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.565 1.166 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' GLY . 32.9 pt -40.53 147.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 0.8 . . . . 0.0 109.249 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.618 HD11 ' HD2' ' A' ' 112' ' ' ARG . 1.1 tm? -171.61 114.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.445 ' O ' HD13 ' A' ' 105' ' ' LEU . 1.8 tp10 -93.92 -149.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 110.321 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -143.13 42.08 1.53 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.483 ' HE3' ' O ' ' A' ' 64' ' ' SER . 1.2 mttt -158.71 166.46 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.562 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.2 mp -51.86 -32.11 14.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.62 1.2 . . . . 0.0 109.358 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.671 ' O ' HG23 ' A' ' 116' ' ' THR . 4.5 m -39.43 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.944 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -93.32 -44.18 8.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.618 ' HD2' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -58.91 -29.1 66.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.617 ' HA2' ' HA ' ' A' ' 79' ' ' ASN . . . -83.29 45.81 3.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.621 1.201 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.421 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 82.61 -112.48 3.52 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.46 146.61 51.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -117.81 122.03 42.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 110.401 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.917 HG21 ' HB3' ' A' ' 166' ' ' GLU . 5.1 p -103.62 176.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 117' ' ' VAL . . . 119.46 36.37 0.86 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 118' ' ' GLY . 2.2 m-85 -173.01 -168.3 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 0.723 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.42 ' CD1' ' N ' ' A' ' 120' ' ' TRP . 0.0 OUTLIER -154.85 -65.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.87 150.14 42.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.4 m -123.61 -69.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -126.41 112.31 15.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 54.31 -138.75 39.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.083 . . . . 0.0 111.016 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -120.54 142.05 49.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.592 0.819 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.02 115.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.395 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -74.43 138.53 43.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -87.72 158.26 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -125.66 152.59 45.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.4 m -146.66 163.28 36.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -145.38 124.57 12.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -152.62 136.72 16.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 tp -111.61 72.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.38 160.88 9.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.378 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -54.1 146.2 15.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 126.7 134.56 4.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.25 162.75 33.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 0.815 . . . . 0.0 109.301 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.479 ' O ' ' CD2' ' A' ' 138' ' ' PHE . 43.3 p90 -129.35 124.59 34.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 33.4 m -127.41 164.29 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 141.74 142.99 4.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.533 1.146 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 mt -103.05 113.58 27.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -116.94 132.12 56.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -173.28 132.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.568 1.168 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -102.76 103.7 13.94 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -80.4 -59.95 2.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.368 1.043 . . . . 0.0 110.235 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -44.67 155.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -129.49 166.33 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 109.382 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -126.44 172.35 10.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 t 179.96 139.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.104 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -162.22 -173.18 3.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.481 ' CD2' ' NH2' ' A' ' 155' ' ' ARG . 3.7 mp -130.84 -177.66 4.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 2.4 m -163.89 146.93 9.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -50.31 -60.59 2.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.3 60.77 3.2 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.133 . . . . 0.0 109.378 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.481 ' NH2' ' CD2' ' A' ' 151' ' ' LEU . 21.4 ttm180 -75.82 -45.79 34.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.392 1.057 . . . . 0.0 110.26 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.46 -41.99 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.593 ' HE3' ' OE1' ' A' ' 25' ' ' GLU . 12.5 mttp -68.45 -30.65 69.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.222 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -55.73 10.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.423 1.077 . . . . 0.0 109.952 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 1.146 ' CD1' ' CD2' ' A' ' 86' ' ' PHE . 38.9 t90 -63.26 -53.7 48.76 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 1.157 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 51.7 t -50.67 -50.01 23.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 157' ' ' LYS . . . -63.57 -31.42 72.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.62 -56.42 22.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.33 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 1.056 HD13 HG21 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -74.35 -54.68 7.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 1.194 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 21.1 mmmt -44.34 -59.49 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 39.9 m -55.28 -46.67 76.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.917 ' HB3' HG21 ' A' ' 117' ' ' VAL . 0.4 OUTLIER -54.93 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 1.364 ' CE1' HD13 ' A' ' 82' ' ' LEU . 15.2 m-85 -40.42 -31.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.394 1.059 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -77.29 -88.52 0.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 20.9 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.257 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -175.21 -57.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.784 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -176.29 66.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.961 HD13 ' CE1' ' A' ' 26' ' ' PHE . 1.7 mp -73.61 150.07 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.672 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -139.5 -178.18 16.35 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.542 1.151 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.702 HD12 HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -138.63 116.43 11.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 1.095 ' CE2' HD23 ' A' ' 44' ' ' LEU . 39.9 m-85 -132.48 118.59 19.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.638 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -129.85 179.93 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 10' ' ' THR . . . -86.21 -55.79 2.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.43 ' O ' HG23 ' A' ' 10' ' ' THR . 8.7 t -174.88 115.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.512 ' CD ' ' CD2' ' A' ' 8' ' ' TYR . 3.9 pt20 -139.6 -58.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 13' ' ' GLY . 3.7 m -159.4 170.8 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.499 ' N ' HG22 ' A' ' 12' ' ' THR . . . 155.03 94.18 0.1 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.9 pttt -123.39 -56.99 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.373 0.69 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -142.04 169.0 18.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.512 ' N ' ' CG2' ' A' ' 15' ' ' THR . 0.3 OUTLIER -79.5 139.66 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.507 ' O ' HD12 ' A' ' 21' ' ' ILE . 4.4 m -179.93 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.885 ' O ' HG22 ' A' ' 22' ' ' ILE . 29.3 m -55.15 -47.78 76.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 109.382 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 23' ' ' ARG . . . -51.64 -28.1 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.29 -38.44 60.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.781 HG21 HG21 ' A' ' 156' ' ' ILE . 3.1 mp -71.13 -55.72 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.226 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.919 ' CD1' HG22 ' A' ' 160' ' ' VAL . 1.4 tp -58.61 -33.33 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.628 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -69.19 -56.92 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.067 . . . . 0.0 110.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 23' ' ' ARG . 4.5 t0 -70.02 -16.98 63.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.78 ' HG3' HG11 ' A' ' 160' ' ' VAL . 16.3 tp10 -79.5 -49.86 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.961 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -46.79 -23.18 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 111.006 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.09 -45.58 1.55 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.388 1.055 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.736 ' HB3' HG22 ' A' ' 30' ' ' VAL . 5.5 t-20 -95.49 -153.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.374 0.691 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.643 ' O ' HG12 ' A' ' 31' ' ' VAL . 79.0 m-20 -110.98 2.47 18.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' A' ' 3' ' ' LYS . 1.8 m -62.47 99.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -156.92 89.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.605 1.191 . . . . 0.0 109.31 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.556 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 40.6 p -121.29 99.88 6.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.067 . . . . 0.0 110.42 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.971 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -111.55 165.96 11.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.376 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.514 ' CD2' ' N ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -56.28 -20.96 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.681 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.971 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.6 t70 -39.12 -30.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 33' ' ' LEU . 15.1 m -85.03 49.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 t -58.13 -15.99 11.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -71.0 -5.63 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.42 -171.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -108.82 170.24 8.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 2.8 p -65.4 -11.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.477 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 4.9 p -57.43 -27.59 62.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.602 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -50.96 -53.8 29.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.095 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.1 pp -77.14 -34.76 56.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.225 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.911 ' N ' HD12 ' A' ' 44' ' ' LEU . 57.9 t30 -47.45 -31.06 3.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -40.33 15.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -96.12 111.94 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.606 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.5 pt20 -86.58 40.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.606 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -147.85 113.02 5.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.032 ' C ' HD13 ' A' ' 51' ' ' ILE . 2.8 mt -146.65 165.23 30.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.032 HD13 ' C ' ' A' ' 50' ' ' LEU . 1.2 mm -117.02 159.51 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.406 1.066 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.805 HD12 ' CD1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -144.12 142.15 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.01 97.05 0.5 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.475 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -160.12 167.3 14.16 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 169.56 22.35 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.559 1.82 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.5 p -95.29 167.87 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -178.63 139.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 108.003 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 p30 174.57 163.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.402 1.064 . . . . 0.0 109.335 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.6 mp -142.68 -82.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.25 75.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -162.38 171.6 16.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.5 tp -131.11 90.4 2.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -168.57 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 m -51.19 142.49 12.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.408 1.068 . . . . 0.0 109.964 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -147.78 134.55 20.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.622 1.201 . . . . 0.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -135.7 154.7 51.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 107.903 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.04 138.24 43.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.63 -126.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.44 1.088 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.28 -49.78 1.92 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 0.777 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 t80 179.95 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.39 66.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.496 1.122 . . . . 0.0 109.946 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -105.36 -175.98 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.936 ' CD1' HG21 ' A' ' 109' ' ' ILE . 2.6 pp -53.54 -27.11 24.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.402 ' HA ' HD13 ' A' ' 109' ' ' ILE . 6.8 t70 -69.29 -21.53 63.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -77.93 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.061 . . . . 0.0 109.28 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.531 HG21 ' CD1' ' A' ' 44' ' ' LEU . 3.3 m -62.98 141.15 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.8 57.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.43 ' CZ ' HD13 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -58.85 127.23 31.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 111.091 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.2 m-80 -139.56 155.38 47.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 36.72 32.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.579 ' HZ3' ' N ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -93.58 170.62 9.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 0.718 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.954 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -110.68 129.66 55.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.579 ' N ' ' HZ3' ' A' ' 81' ' ' LYS . 1.4 t -135.2 123.56 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.892 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.05 138.94 38.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.805 ' CD1' HD12 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -113.92 145.19 41.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.731 ' CD1' ' CD1' ' A' ' 159' ' ' TRP . 6.8 t80 -103.1 69.42 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -168.21 -156.44 10.26 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.5 t -174.44 154.94 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.769 . . . . 0.0 110.355 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.54 173.2 29.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.24 162.01 15.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.54 169.29 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 tp -50.55 149.44 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.95 -133.85 0.08 OUTLIER Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.581 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 28.6 p90 -38.15 117.45 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 94' ' ' TYR . . . 171.16 124.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -146.77 142.95 28.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -169.13 158.5 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -123.55 147.42 47.29 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.66 170.81 16.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -111.1 -55.92 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.7 168.88 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 103' ' ' GLY . 2.6 tp -171.19 -50.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 102' ' ' ILE . . . -48.33 177.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.1 tp -170.28 -44.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.76 138.81 52.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.375 1.047 . . . . 0.0 109.188 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -164.81 -96.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.61 -84.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.383 1.052 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 14.1 mttt -117.81 -172.65 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.936 HG21 ' CD1' ' A' ' 73' ' ' LEU . 1.9 mp -51.97 -32.21 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.53 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.41 -42.09 9.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 11.3 ttp180 -58.56 -48.16 81.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -36.9 -55.42 1.41 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.92 -118.0 0.74 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -104.85 146.43 29.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -125.85 125.98 43.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.845 HG22 ' HA ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -96.73 144.41 10.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.34 58.47 0.1 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.369 1.043 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.517 ' CE1' ' OE1' ' A' ' 166' ' ' GLU . 0.8 OUTLIER -50.58 179.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 0.734 . . . . 0.0 111.006 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -85.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.52 171.88 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.4 m -136.12 109.8 8.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 146' ' ' ASP . 0.4 OUTLIER -160.16 116.06 2.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.214 -179.878 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -169.09 152.22 19.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.426 1.079 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.28 163.13 17.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 0.788 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -94.04 -57.28 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -62.17 115.96 4.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -95.67 89.46 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 0.0 109.354 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -175.37 124.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.1 p -73.41 -42.52 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.025 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -166.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -135.1 -53.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.34 173.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.482 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 1.1 mpt_? -85.07 154.21 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 134' ' ' ARG . 1.3 m-20 157.5 -173.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.01 -109.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.586 1.179 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.41 169.81 15.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -170.74 145.46 2.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 33.2 m -73.54 178.78 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 124.392 1.058 . . . . 0.0 109.33 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -162.0 -169.68 25.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.7 mt -130.64 176.29 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -159.68 168.36 26.19 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.577 1.173 . . . . 0.0 109.36 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.8 mt -132.8 177.86 7.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.57 97.45 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.24 -59.3 2.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.385 1.053 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.437 ' HB3' ' CB ' ' A' ' 123' ' ' ASP . 10.3 p-10 -40.54 122.8 1.7 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.373 1.046 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.5 129.23 24.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -49.48 114.29 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.06 -83.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -157.9 -174.04 4.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 151' ' ' LEU . 0.4 OUTLIER -80.46 -174.6 4.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 152' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 153' ' ' ASP . 86.5 m -157.28 169.79 23.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.35 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 152' ' ' THR . 15.1 t0 -70.37 -13.46 62.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.462 ' HB2' ' CD ' ' A' ' 157' ' ' LYS . 3.4 p-10 -92.97 28.78 2.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.4 ttp-105 -75.88 -56.63 4.49 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.781 HG21 HG21 ' A' ' 21' ' ' ILE . 1.7 pp -59.17 -42.86 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.664 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 3.8 pttt -62.71 -31.8 72.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.07 -56.86 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.771 ' CZ2' HG21 ' A' ' 51' ' ' ILE . 51.7 t90 -55.96 -59.37 5.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 108.038 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.919 HG22 ' CD1' ' A' ' 22' ' ' ILE . 54.1 t -51.21 -35.46 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -69.08 -31.65 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 166' ' ' GLU . 24.4 tt0 -69.04 -35.99 77.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.743 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.2 OUTLIER -76.32 -53.67 7.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.572 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -58.08 -41.03 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 33.3 m -62.19 -67.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.517 ' OE1' ' CE1' ' A' ' 119' ' ' TYR . 3.8 mm-40 -45.11 -55.95 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 0.954 ' CE1' HD13 ' A' ' 82' ' ' LEU . 22.2 m-30 -60.81 -23.07 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 169' ' ' LEU . . . 139.34 84.74 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 169' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.531 ' N ' ' CE2' ' A' ' 49' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.707 ' O ' ' C ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -159.25 168.56 26.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.707 ' C ' ' O ' ' A' ' 2' ' ' LYS . 12.5 ttmt 4.88 75.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.74 HD13 ' CE1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -74.18 146.42 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.933 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -145.75 -172.55 16.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.982 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.95 130.02 15.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 0.804 . . . . 0.0 109.251 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.941 ' CE2' HD23 ' A' ' 44' ' ' LEU . 11.2 m-85 -130.33 123.49 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -123.89 179.91 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.52 -178.16 51.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 10' ' ' THR . 5.0 t -136.2 110.1 8.19 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.541 0.789 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -179.99 -48.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.1 m -150.02 81.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.54 69.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.426 1.079 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.7 81.18 1.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 0.733 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 p -116.48 107.87 15.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 16' ' ' GLU . 3.9 pt-20 -104.85 70.07 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.229 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.564 ' O ' HD12 ' A' ' 21' ' ' ILE . 2.5 m -168.68 -41.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 22' ' ' ILE . 29.2 m -55.34 -36.31 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -65.35 -27.5 68.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.93 -45.75 56.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.692 ' CG2' HD13 ' A' ' 156' ' ' ILE . 3.5 mp -59.84 -53.54 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 23' ' ' ARG . 2.2 tp -54.68 -54.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.492 ' C ' ' CD ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -49.74 -49.92 46.32 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.419 1.075 . . . . 0.0 110.299 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -64.6 -25.59 68.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 1.123 ' HB3' HG21 ' A' ' 160' ' ' VAL . 4.5 mm-40 -77.01 -50.06 13.98 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.74 ' CE1' HD13 ' A' ' 4' ' ' ILE . 1.1 m-85 -52.36 -20.22 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 -77.65 1.27 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.36 1.037 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.755 ' CB ' HG22 ' A' ' 30' ' ' VAL . 4.2 m-80 -43.58 165.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.574 ' O ' HG12 ' A' ' 31' ' ' VAL . 2.6 m-20 -75.61 -2.98 31.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.755 HG22 ' CB ' ' A' ' 28' ' ' ASN . 3.5 m -63.99 100.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -155.0 88.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.569 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 66.8 p -117.73 116.57 27.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.9 HD13 ' CB ' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -112.52 156.77 22.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.411 1.069 . . . . 0.0 109.328 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.522 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -79.51 2.99 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.632 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.9 ' CB ' HD13 ' A' ' 33' ' ' LEU . 25.2 t70 -36.93 -33.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' HIS . 22.4 m -85.41 48.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.7 p -50.42 -20.77 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.907 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -70.11 -6.14 31.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 110.371 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.16 -171.34 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' HB3' HG22 ' A' ' 42' ' ' THR . 1.0 OUTLIER -103.71 159.69 15.41 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 110.231 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.82 HG12 ' HA ' ' A' ' 71' ' ' SER . 2.5 m -65.46 -11.67 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.195 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.464 HG22 ' HB3' ' A' ' 40' ' ' GLU . 5.8 t -53.59 -26.98 24.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.388 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -66.61 -53.61 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.941 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.7 pp -69.83 -23.23 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.537 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -75.66 -30.21 59.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 20.6 m-20 -67.1 -39.47 86.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.18 143.35 31.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 3.2 mp0 -108.19 39.77 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -154.7 111.56 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.583 HD22 ' CD1' ' A' ' 7' ' ' PHE . 14.4 mt -147.78 165.54 30.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.933 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.3 mp -129.87 160.43 40.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.613 1.196 . . . . 0.0 109.311 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.663 HD11 HD21 ' A' ' 73' ' ' LEU . 5.9 mm -113.91 150.85 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.64 -66.34 0.9 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.79 150.37 36.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.92 42.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.446 1.761 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m -110.58 107.88 17.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -44.18 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -143.86 179.32 7.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.4 1.063 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -112.33 -45.69 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.2 150.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.74 131.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt -140.96 -61.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -164.3 85.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.386 1.054 . . . . 0.0 110.254 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -150.54 140.98 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.82 -62.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -80.7 144.45 32.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.006 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.98 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.243 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.61 116.11 1.51 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.373 1.046 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.58 123.43 43.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -127.67 -76.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.82 ' HA ' HG12 ' A' ' 41' ' ' VAL . 3.0 t -170.47 72.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.046 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.18 116.14 31.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.059 HD12 HD13 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -51.31 -25.73 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.541 ' HA ' HD12 ' A' ' 109' ' ' ILE . 0.4 OUTLIER -61.55 -20.33 63.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 76' ' ' VAL . 5.5 m-20 -78.39 -65.34 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.717 HG21 ' CE1' ' A' ' 78' ' ' PHE . 10.5 m -44.14 166.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -101.79 52.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.358 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.717 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.8 m-85 -47.54 131.52 14.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' GLY . 1.9 m120 -139.61 150.13 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 79' ' ' ASN . . . 37.04 46.11 1.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.82 ' HZ3' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.08 172.69 7.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.722 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.068 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.1 pp -114.88 133.76 55.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.82 HG22 ' HZ3' ' A' ' 81' ' ' LYS . 9.5 m -134.85 121.58 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.11 161.2 13.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.67 125.34 41.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.401 ' O ' HG22 ' A' ' 88' ' ' THR . 1.6 t80 -39.7 159.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -56.27 107.14 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.599 1.187 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 86' ' ' PHE . 9.1 t -158.99 162.14 36.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 0.756 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -98.36 114.64 5.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.42 1.075 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -147.98 -52.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 0.71 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -123.67 171.68 9.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.9 tt -165.99 124.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.01 147.52 8.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.601 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 4.8 m-85 -82.47 -55.84 4.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.589 0.817 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 94' ' ' TYR . . . 77.4 -63.35 0.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.89 170.33 19.63 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.607 1.192 . . . . 0.0 109.291 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.11 -49.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 1.065 . . . . 0.0 109.212 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.32 117.88 28.6 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -131.68 175.16 9.42 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.62 1.2 . . . . 0.0 110.243 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -166.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.22 -74.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.3 pt -40.57 123.28 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -137.53 -135.03 3.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.764 HG23 ' N ' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -124.78 -151.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.335 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.764 ' N ' HG23 ' A' ' 104' ' ' ILE . 0.5 OUTLIER -69.35 65.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.527 ' CA ' ' HB3' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -36.73 130.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.702 ' HG3' HH21 ' A' ' 112' ' ' ARG . 35.9 mt-10 -118.59 -83.04 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 13.4 mttt -52.17 106.28 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 1.059 HD13 HD12 ' A' ' 73' ' ' LEU . 54.3 mt -48.82 -32.02 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.0 m -40.23 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.34 -48.09 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.702 HH21 ' HG3' ' A' ' 107' ' ' GLU . 3.9 mmm-85 -58.78 -21.4 55.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.478 ' O ' ' HE3' ' A' ' 81' ' ' LYS . . . -94.67 -25.96 14.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.407 1.067 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.37 -126.15 1.57 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.82 146.52 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 12.6 t -130.41 133.11 46.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.415 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.712 HG11 ' CB ' ' A' ' 166' ' ' GLU . 9.3 m -120.74 141.39 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 173.72 79.79 0.05 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.568 1.167 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -103.35 -175.81 2.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 111.066 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -120.58 -69.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.03 94.9 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.96 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.9 t -100.87 165.56 11.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.453 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -168.5 95.55 0.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 56.36 -144.67 36.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.426 1.079 . . . . 0.0 111.074 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -144.32 61.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -44.16 -44.71 7.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -59.46 156.51 12.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -136.87 167.4 21.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -45.77 132.4 8.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.2 m -60.83 164.51 4.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -67.65 174.11 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.185 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -104.24 157.56 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.61 151.57 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.375 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -48.52 118.37 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -41.79 158.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.217 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 142.35 -138.7 8.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.417 1.073 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -78.58 140.43 38.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PHE . . . . . 0.531 ' O ' HG13 ' A' ' 139' ' ' VAL . 18.6 p90 -72.65 125.94 28.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 138' ' ' PHE . 26.9 m -157.32 164.57 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 111.3 114.28 3.45 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -134.16 91.63 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.622 ' O ' HD12 ' A' ' 143' ' ' LEU . . . -158.04 133.0 8.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 142' ' ' ALA . 0.6 OUTLIER -164.97 139.01 4.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -111.78 57.59 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -79.07 -47.27 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 110.277 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -40.41 129.2 2.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -138.8 179.59 6.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -77.04 -179.87 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.12 -179.96 3.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.053 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -161.5 179.76 7.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.22 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 164.62 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 14.2 m -157.25 146.65 20.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.79 -19.47 61.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.612 1.195 . . . . 0.0 109.381 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ASP . . . . . 0.465 ' HB3' ' CD ' ' A' ' 157' ' ' LYS . 6.2 m-20 -92.54 34.71 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.13 -32.09 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.24 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.86 HD12 ' HG2' ' A' ' 25' ' ' GLU . 8.7 pt -72.05 -39.66 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.465 ' CD ' ' HB3' ' A' ' 154' ' ' ASP . 0.0 OUTLIER -60.48 -35.58 76.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.128 . . . . 0.0 109.355 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 33.3 t -73.38 -65.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.842 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 47.4 t90 -43.49 -53.01 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 1.123 HG21 ' HB3' ' A' ' 25' ' ' GLU . 65.9 t -51.57 -51.84 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.19 -31.98 61.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.43 68.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.842 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -63.25 -53.87 46.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.451 ' HA ' ' NZ ' ' A' ' 164' ' ' LYS . 0.1 OUTLIER -62.05 -29.45 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.241 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.633 ' O ' HD23 ' A' ' 169' ' ' LEU . 0.4 OUTLIER -59.93 -63.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.045 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.712 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -67.83 -55.84 11.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 1.068 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.1 m-30 -37.11 -54.59 0.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 179.77 71.47 0.07 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.547 1.155 . . . . 0.0 110.994 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 165' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.396 0.703 . . . . 0.0 109.193 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.493 ' C ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -135.74 83.9 2.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.598 ' HA ' HG12 ' A' ' 30' ' ' VAL . 3.0 ttmt -169.43 51.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -72.96 165.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.628 ' HA3' ' O ' ' A' ' 32' ' ' THR . . . -170.76 -153.09 8.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.718 HD13 HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -149.01 126.04 11.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.274 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.94 ' CE2' HD23 ' A' ' 44' ' ' LEU . 13.7 m-85 -128.25 112.51 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.596 ' CD1' ' N ' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -146.6 110.07 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.6 -50.26 31.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.9 m -70.17 103.3 2.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 0.749 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.582 ' HB3' ' CD2' ' A' ' 8' ' ' TYR . 2.8 pp0? -162.25 138.02 7.45 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.2 m -43.98 -61.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.18 -81.93 0.3 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.44 1.087 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.59 -52.92 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 0.752 . . . . 0.0 109.331 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 p -71.8 99.95 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -125.07 90.89 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 8.0 t -142.1 -46.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 22' ' ' ILE . 9.0 p -55.07 -39.65 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.539 ' HB1' HD22 ' A' ' 33' ' ' LEU . . . -56.28 -40.72 74.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -37.85 87.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 17' ' ' SER . 2.0 mp -63.33 -58.35 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.559 HG12 HD21 ' A' ' 6' ' ' LEU . 7.0 tp -53.98 -48.75 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.708 ' HG3' HD21 ' A' ' 33' ' ' LEU . 43.5 mtm180 -54.02 -41.97 68.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -30.06 63.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.97 ' HB3' HG21 ' A' ' 160' ' ' VAL . 3.4 mm-40 -66.87 -51.29 57.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.768 ' CE2' ' CE ' ' A' ' 164' ' ' LYS . 1.3 m-85 -44.62 -32.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.76 70.83 0.86 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 1.003 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.4 OUTLIER 171.55 162.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -62.47 -13.98 36.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.003 HG22 ' HB3' ' A' ' 28' ' ' ASN . 16.8 m -70.32 97.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 30' ' ' VAL . 17.2 m -157.22 80.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.628 ' O ' ' HA3' ' A' ' 5' ' ' GLY . 37.2 p -123.2 95.85 4.77 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.512 1.133 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.718 HD23 HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -113.84 174.22 6.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 35' ' ' ASP . 17.5 p-80 -38.24 -30.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.584 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.637 ' HB3' HD12 ' A' ' 33' ' ' LEU . 3.9 t70 -33.34 -39.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 33' ' ' LEU . 33.3 m -80.85 52.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.0 p -73.2 -21.39 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.06 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -70.92 -30.88 67.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HB1' ' OD1' ' A' ' 43' ' ' ASP . . . -91.47 131.69 36.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' HB2' HG22 ' A' ' 42' ' ' THR . 2.4 mt-10 -54.58 175.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.762 ' CG2' HD11 ' A' ' 44' ' ' LEU . 4.4 p -61.0 -13.83 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.432 HG22 ' HB2' ' A' ' 40' ' ' GLU . 6.4 t -55.37 -25.81 37.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.66 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -61.03 -55.9 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.94 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.1 pp -69.04 -28.22 66.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.773 ' N ' HD12 ' A' ' 44' ' ' LEU . 13.2 t30 -56.15 -40.49 73.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.587 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -75.83 -31.37 59.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.66 ' CD2' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -117.11 71.18 0.79 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.549 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 2.8 mt-30 -65.14 62.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.668 ' O ' HD23 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -158.27 105.37 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.872 HD13 ' CD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -158.47 165.36 34.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.788 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.4 mt -98.39 159.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' A' ' 85' ' ' TYR . 2.7 pp -146.29 153.84 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.68 78.54 0.36 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 93.0 m -146.55 155.99 49.07 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.488 ' CB ' ' HB2' ' A' ' 58' ' ' ASN . 18.2 Cg_endo -75.02 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.536 1.809 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.785 HG23 ' CD1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -126.88 -40.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.459 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.785 ' CD1' HG23 ' A' ' 56' ' ' THR . 1.8 p-90 -130.07 17.39 5.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 108.078 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.488 ' HB2' ' CB ' ' A' ' 55' ' ' PRO . 2.9 t-20 -39.66 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 58' ' ' ASN . 4.0 tp -38.07 143.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.7 178.08 15.24 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.516 1.135 . . . . 0.0 111.068 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -148.05 58.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.53 158.58 19.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.88 159.63 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.228 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.3 p -117.25 172.24 7.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -62.84 170.57 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -114.02 -60.02 1.94 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.564 1.165 . . . . 0.0 107.997 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -98.78 160.37 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.59 -71.88 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.57 1.169 . . . . 0.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.84 171.45 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.359 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 14.9 p90 -109.35 68.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 t -176.77 38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.37 129.19 52.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.448 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.1 pp -51.94 -25.04 7.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.745 ' HA ' HD11 ' A' ' 109' ' ' ILE . 3.2 t0 -50.67 -21.11 1.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -76.87 -62.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.233 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.687 HG21 ' CE1' ' A' ' 78' ' ' PHE . 31.2 m -57.92 147.07 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 78' ' ' PHE . 6.9 m-20 -88.5 49.87 1.87 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.633 1.208 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.687 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.6 m-30 -35.92 113.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -136.11 128.68 30.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' CA ' ' HA3' ' A' ' 114' ' ' GLY . . . 67.63 9.35 55.44 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.768 ' CD ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -77.6 176.1 9.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.582 0.813 . . . . 0.0 109.261 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.205 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -112.9 131.92 55.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.768 HG13 ' CD ' ' A' ' 81' ' ' LYS . 12.1 m -138.99 129.11 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.788 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -98.86 157.25 16.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.539 ' CE1' HD11 ' A' ' 52' ' ' ILE . 4.6 m-85 -120.46 132.46 55.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -50.96 155.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.39 51.35 0.77 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.575 1.172 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.788 HG23 HH21 ' A' ' 155' ' ' ARG . 97.1 m -157.68 130.29 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.95 -142.17 15.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.06 165.44 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -61.33 148.82 40.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.777 ' O ' HD13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -154.92 -43.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -51.16 153.09 4.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -97.4 167.57 10.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -172.94 161.15 4.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -136.65 87.45 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 179.38 141.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -161.36 118.32 2.24 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.65 159.47 21.29 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.67 41.15 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.88 135.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 pp -92.05 130.55 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.86 73.65 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.2 mt -141.75 118.16 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.419 HD22 ' HD3' ' A' ' 112' ' ' ARG . 2.1 mt -73.9 131.27 41.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.62 -173.67 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.259 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.51 88.56 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 110.236 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.45 ' CB ' ' HG2' ' A' ' 111' ' ' GLN . 0.2 OUTLIER 179.82 153.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' A' ' 74' ' ' ASP . 3.2 mp -71.13 -31.62 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 m -77.34 2.32 16.19 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.464 1.103 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.45 ' HG2' ' CB ' ' A' ' 108' ' ' LYS . 29.2 mm-40 -94.96 -63.16 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 113' ' ' GLY . 6.2 mtm105 -114.26 4.57 15.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.539 ' CA ' ' O ' ' A' ' 109' ' ' ILE . . . -26.54 -50.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.418 ' HA3' ' CA ' ' A' ' 80' ' ' GLY . . . 132.84 -101.73 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.46 145.35 39.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.793 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 2.0 t -143.76 136.53 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 167' ' ' PHE . 1.5 m -115.92 128.44 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 119.61 61.36 0.26 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 120' ' ' TRP . 42.2 p90 -89.74 -47.83 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.608 ' N ' ' CD1' ' A' ' 119' ' ' TYR . 7.4 m0 -130.88 176.41 8.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 107.994 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.2 t -125.84 -51.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p -136.47 104.56 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -103.99 148.66 25.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -121.85 -163.58 11.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -76.75 144.1 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.06 155.93 37.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.68 130.34 43.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.365 1.041 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -155.33 155.23 33.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.22 132.85 55.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.238 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -175.67 142.2 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.951 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -161.52 131.23 4.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.8 128.43 34.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -168.85 144.38 3.38 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 -76.73 -78.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -124.94 141.68 51.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.228 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 158.05 -149.76 20.29 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.475 1.109 . . . . 0.0 111.065 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.24 173.89 11.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.251 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -68.4 172.32 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 12.4 p -156.19 151.8 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -59.62 -157.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.583 1.177 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.61 179.15 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -126.77 159.26 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 3.6 mt -54.91 169.73 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.419 ' CG ' ' OD2' ' A' ' 146' ' ' ASP . 8.8 t0 -90.32 121.72 32.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 146' ' ' ASP . 0.0 OUTLIER -79.25 -42.05 26.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.261 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 145' ' ' GLU . 0.5 OUTLIER -38.32 134.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -112.82 166.39 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.405 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.15 176.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.9 -178.6 3.72 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -111.6 -178.34 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.34 175.37 5.54 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.429 1.081 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 4.7 m -146.71 147.68 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 110.464 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -67.6 -34.79 77.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.361 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -87.91 45.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.788 HH21 HG23 ' A' ' 88' ' ' THR . 0.0 OUTLIER -77.89 -48.83 15.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.354 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.893 ' O ' HG23 ' A' ' 160' ' ' VAL . 6.0 pt -51.45 -54.53 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' LYS . . . . . 0.47 ' HA ' ' OE2' ' A' ' 25' ' ' GLU . 3.0 pttt -54.52 -35.94 63.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.33 -64.75 0.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.499 ' CZ2' HG21 ' A' ' 51' ' ' ILE . 23.0 t90 -47.18 -55.11 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.97 HG21 ' HB3' ' A' ' 25' ' ' GLU . 47.0 t -49.51 -57.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -50.5 -29.04 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 166' ' ' GLU . 1.7 tt0 -70.06 -56.48 6.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.244 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.518 ' O ' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -61.35 -57.24 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.768 ' CE ' ' CE2' ' A' ' 26' ' ' PHE . 1.4 mmpt? -49.0 -56.38 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 168' ' ' GLY . 40.3 t -54.86 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.034 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 165' ' ' SER . 0.5 OUTLIER -31.74 -59.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 167' ' ' PHE . . . . . 1.205 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.2 m-85 -49.2 -47.25 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 165' ' ' SER . . . 143.71 42.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.42 1.075 . . . . 0.0 111.056 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 164' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.599 0.823 . . . . 0.0 109.174 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -174.92 70.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.155 . . . . 0.0 109.389 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.837 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -80.49 148.53 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.372 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.671 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -137.13 168.95 24.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -130.09 116.47 18.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.392 0.701 . . . . 0.0 109.318 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.096 ' CD2' HD23 ' A' ' 44' ' ' LEU . 8.0 m-85 -125.72 125.03 42.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.718 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -128.85 179.85 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.952 ' O ' HG22 ' A' ' 22' ' ' ILE . 7.2 p -55.34 -38.31 47.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.87 -32.35 31.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -72.27 -47.37 50.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.031 HG23 HD13 ' A' ' 156' ' ' ILE . 1.7 mp -58.89 -56.36 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.952 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.3 tp -55.75 -36.76 44.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.509 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -62.92 -44.69 95.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.35 -18.91 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.955 ' CB ' HG21 ' A' ' 160' ' ' VAL . 59.0 mm-40 -77.64 -49.74 13.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.837 ' CE1' HD13 ' A' ' 4' ' ' ILE . 2.3 m-85 -53.15 -19.05 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 1.088 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.35 -71.38 2.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.807 ' HB3' HG22 ' A' ' 30' ' ' VAL . 8.3 t-20 -59.54 -155.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -112.93 -7.74 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.807 HG22 ' HB3' ' A' ' 28' ' ' ASN . 0.5 OUTLIER -48.29 100.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.509 HG21 ' CG ' ' A' ' 23' ' ' ARG . 55.8 t -154.64 86.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.56 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 62.3 p -114.4 99.55 7.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.401 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.73 HD13 ' CG ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -96.17 166.25 11.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.718 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -77.41 0.47 22.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.658 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.73 ' CG ' HD13 ' A' ' 33' ' ' LEU . 3.7 m-20 -38.79 -31.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' HIS . 13.8 p -86.35 47.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -54.31 -19.0 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.968 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -5.44 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.264 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.83 -171.52 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -101.8 161.85 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.177 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.637 HG22 HD11 ' A' ' 44' ' ' LEU . 11.3 p -65.25 -11.86 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.177 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.441 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 12.6 t -57.41 -26.99 61.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.555 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -55.09 -53.28 57.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.096 HD23 ' CD2' ' A' ' 7' ' ' PHE . 2.5 pp -75.89 -22.94 55.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.723 ' N ' HD12 ' A' ' 44' ' ' LEU . 58.8 t30 -64.07 -30.76 71.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.19 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 6.6 m-20 -70.16 -37.77 75.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.666 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.83 147.93 22.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.471 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -107.87 36.28 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.252 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.804 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -154.66 113.61 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.9 mm? -139.75 164.01 31.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.812 HG21 ' HH2' ' A' ' 159' ' ' TRP . 2.7 mp -121.43 138.91 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.794 HD12 ' CZ ' ' A' ' 85' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.197 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.972 HD13 ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -51.74 -27.26 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.89 -22.05 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.41 -51.48 5.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.86 HG21 HD11 ' A' ' 44' ' ' LEU . 86.3 t -40.41 153.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 109.295 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -84.61 50.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.972 ' CE2' HD13 ' A' ' 73' ' ' LEU . 2.2 m-30 -51.92 139.45 22.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -137.14 128.29 27.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 37.68 70.54 0.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.852 ' CD ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -129.85 170.91 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.251 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -102.51 134.41 45.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.573 1.17 . . . . 0.0 109.296 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.852 HG23 ' CD ' ' A' ' 81' ' ' LYS . 7.0 t -135.29 114.68 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.733 ' O ' HG23 ' A' ' 51' ' ' ILE . . . -102.15 123.21 45.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.794 ' CZ ' HD12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -97.07 154.98 17.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' A' ' 109' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.746 ' HB2' HG21 ' A' ' 116' ' ' THR . 99.6 p -48.23 -45.71 34.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -86.1 -18.8 31.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.421 ' CB ' ' HA ' ' A' ' 109' ' ' ILE . 0.4 OUTLIER -58.98 -56.6 20.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.233 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . 178.21 111.81 0.31 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.35 -163.13 27.54 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 150.39 51.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 0.805 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.746 HG21 ' HB2' ' A' ' 110' ' ' SER . 17.9 p -126.71 131.76 51.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.406 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.756 HG11 ' CB ' ' A' ' 166' ' ' GLU . 12.4 m -115.74 156.94 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -54.34 34.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 1.031 HD13 HG23 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -52.24 -45.03 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.501 ' HG2' ' CD ' ' A' ' 25' ' ' GLU . 15.5 mtpt -61.19 -30.96 70.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.24 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -70.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 110.085 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.901 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 30.1 t90 -42.99 -52.3 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 108.076 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.955 HG21 ' CB ' ' A' ' 25' ' ' GLU . 45.4 t -51.62 -51.73 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.299 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.42 63.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -67.03 -48.18 69.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.901 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.4 OUTLIER -63.03 -53.6 51.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.472 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -59.02 -31.26 68.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -68.27 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.955 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.756 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.1 OUTLIER -60.66 -56.16 24.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 1.251 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.6 m-30 -37.41 -58.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.508 ' HB3' HG11 ' A' ' 30' ' ' VAL . 5.0 mtpp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.668 ' N ' HG12 ' A' ' 30' ' ' VAL . 10.0 tttp -174.93 55.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -73.21 135.59 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.201 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 1.002 ' C ' HD13 ' A' ' 6' ' ' LEU . . . -139.1 166.47 25.43 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -114.6 116.72 29.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.589 0.817 . . . . 0.0 109.287 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.02 ' CD2' HD23 ' A' ' 44' ' ' LEU . 5.9 m-85 -119.15 114.71 22.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -123.81 179.91 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.076 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.16 . . . . 0.0 111.054 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.3 m . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.98 ' O ' HG22 ' A' ' 22' ' ' ILE . 11.9 m -55.35 -36.64 41.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.7 -31.23 25.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -47.53 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.777 HG21 HG21 ' A' ' 156' ' ' ILE . 2.8 mp -59.16 -56.38 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.98 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.2 tp -54.91 -39.55 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.726 ' CD ' HG11 ' A' ' 31' ' ' VAL . 16.0 ttp180 -59.72 -54.26 48.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 110.223 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.25 -18.31 64.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.903 ' HB3' HG21 ' A' ' 160' ' ' VAL . 1.2 mm-40 -77.9 -50.02 13.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 22' ' ' ILE . 3.1 m-85 -53.63 -53.42 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . 93.54 -73.39 1.23 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.578 1.173 . . . . 0.0 111.095 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.952 ' HB3' HG22 ' A' ' 30' ' ' VAL . 2.4 m-20 -38.64 152.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 0.718 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -48.04 -26.38 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 28' ' ' ASN . 4.5 m -48.26 101.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.726 HG11 ' CD ' ' A' ' 23' ' ' ARG . 73.1 t -153.65 81.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.853 ' C ' HD23 ' A' ' 33' ' ' LEU . 17.7 p -125.69 164.67 20.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.466 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.853 HD23 ' C ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -165.1 168.12 17.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.511 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 1.4 p-80 -63.06 -13.43 35.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HB2' HD12 ' A' ' 33' ' ' LEU . 6.8 t70 -39.97 -30.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.875 HG21 ' OD2' ' A' ' 43' ' ' ASP . 30.8 m -80.55 53.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -69.69 -7.45 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -27.15 63.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.92 -171.61 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -105.09 -170.42 1.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.406 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 10.2 m -65.3 -11.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.179 . . . . 0.0 109.26 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.6 t -61.25 -28.17 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.354 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.875 ' OD2' HG21 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -55.16 -53.67 53.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.02 HD23 ' CD2' ' A' ' 7' ' ' PHE . 3.8 pp -74.82 -40.12 61.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.915 ' N ' HD12 ' A' ' 44' ' ' LEU . 59.9 t30 -47.41 -31.16 3.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.385 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.479 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -67.78 -42.65 81.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -98.29 126.42 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -86.36 17.87 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.856 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -130.02 111.01 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 110.942 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.856 HD22 ' O ' ' A' ' 49' ' ' TYR . 4.1 mm? -138.12 157.63 45.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.735 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.7 mp -128.14 152.57 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.891 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.405 ' C ' ' N ' ' A' ' 74' ' ' ASP . 4.3 tt0 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.802 HD22 ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -44.77 -27.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.602 ' H ' HD13 ' A' ' 73' ' ' LEU . 2.5 t70 -47.82 -24.82 1.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.55 -57.84 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.404 HG21 HD11 ' A' ' 44' ' ' LEU . 84.8 t -48.5 143.41 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 2.1 m-20 -93.01 63.81 3.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.566 1.167 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.552 ' CZ ' HD13 ' A' ' 44' ' ' LEU . 2.2 m-30 -48.66 93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.076 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -95.09 104.51 16.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.37 66.07 2.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.484 ' CE ' ' HA ' ' A' ' 78' ' ' PHE . 8.2 mttm -135.99 162.86 31.68 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.528 0.781 . . . . 0.0 109.208 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.921 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -99.9 128.0 46.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -130.42 134.33 62.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.735 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -102.59 152.91 20.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -131.7 136.1 47.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 4.3 p90 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.63 HG12 HD23 ' A' ' 73' ' ' LEU . 1.9 mp . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.401 ' HB3' ' CG2' ' A' ' 116' ' ' THR . 2.0 m -59.45 -70.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -53.41 -19.99 4.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -49.33 60.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.66 129.42 1.04 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 129.91 -134.18 7.76 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 146.44 30.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.401 ' CG2' ' HB3' ' A' ' 110' ' ' SER . 0.0 OUTLIER -125.27 122.47 37.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.701 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 11.6 p -107.27 129.75 60.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.88 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . 0.466 ' CB ' ' HD3' ' A' ' 157' ' ' LYS . 29.9 m-20 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -51.52 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.777 HG21 HG21 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -51.91 -40.33 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.375 1.047 . . . . 0.0 109.337 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.466 ' HD3' ' CB ' ' A' ' 154' ' ' ASP . 2.6 pttp -64.13 -35.17 79.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 161' ' ' ALA . 48.0 t -70.94 -61.21 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.649 ' CH2' HG21 ' A' ' 51' ' ' ILE . 24.1 t90 -51.8 -56.08 16.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.903 HG21 ' HB3' ' A' ' 25' ' ' GLU . 61.1 t -50.84 -38.17 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -67.95 -31.5 71.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.36 -55.09 11.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 159' ' ' TRP . 0.1 OUTLIER -63.64 -54.26 38.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.472 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -55.18 -33.12 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 2.3 t -63.47 -76.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.368 1.042 . . . . 0.0 110.094 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.14 -48.51 12.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.921 ' CE1' HD13 ' A' ' 82' ' ' LEU . 18.7 m-30 -61.33 -27.31 68.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 165' ' ' SER . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.759 ' HA ' HG12 ' A' ' 30' ' ' VAL . 5.7 tptt -176.97 62.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.63 1.206 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.781 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -76.75 150.35 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.993 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -139.94 173.43 22.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.153 . . . . 0.0 110.991 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -126.09 116.48 21.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.974 ' CD2' HD23 ' A' ' 44' ' ' LEU . 9.9 m-85 -128.25 116.51 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -123.34 179.87 4.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.923 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.946 ' O ' HG22 ' A' ' 22' ' ' ILE . 9.4 p -63.18 -34.42 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.458 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -54.28 -31.59 54.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.21 -45.77 54.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.693 ' CG2' HD13 ' A' ' 156' ' ' ILE . 2.6 mp -60.06 -54.15 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.946 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.6 tp -59.54 -34.22 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.756 ' HB2' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -63.03 -53.98 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -28.86 69.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.759 ' HB3' HG21 ' A' ' 160' ' ' VAL . 4.9 mm-40 -68.49 -49.67 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.781 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.6 OUTLIER -48.39 -22.41 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.63 -45.84 1.34 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.384 1.052 . . . . 0.0 111.052 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.542 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.7 m-20 -102.81 -171.92 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -91.7 -5.77 53.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.379 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.759 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -47.8 99.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.756 HG21 ' HB2' ' A' ' 23' ' ' ARG . 2.5 t -155.64 81.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.619 1.199 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.521 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 72.1 p -107.86 99.84 9.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.625 HD12 ' OD1' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -95.06 167.11 11.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.457 1.098 . . . . 0.0 109.199 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.526 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.38 -3.96 30.49 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.529 1.143 . . . . 0.0 109.629 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.625 ' OD1' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.04 -30.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.2 m -85.81 48.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.1 t -57.13 -17.19 9.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -5.55 32.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.26 -171.49 1.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -106.48 174.38 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 3.2 m -65.19 -12.01 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.447 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 5.9 t -54.62 -30.63 55.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.6 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 1.3 m-20 -56.03 -53.48 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.974 HD23 ' CD2' ' A' ' 7' ' ' PHE . 3.7 pp -77.01 -23.99 52.17 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.567 1.167 . . . . 0.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.624 ' N ' HD12 ' A' ' 44' ' ' LEU . 51.8 t30 -60.44 -31.05 70.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.51 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 5.4 m-20 -74.59 -44.2 51.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -105.37 113.18 26.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.941 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.451 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.72 3.84 10.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.19 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.482 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -106.48 112.99 26.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 110.956 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.625 HD23 ' HE2' ' A' ' 78' ' ' PHE . 2.1 mm? -134.11 164.68 26.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.192 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.993 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.1 mp -128.71 145.11 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.732 HG22 ' O ' ' A' ' 7' ' ' PHE . 2.7 pp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.384 1.052 . . . . 0.0 109.339 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.782 HD12 HG21 ' A' ' 109' ' ' ILE . 1.7 pt? -51.31 -27.14 8.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.877 ' HA ' HD13 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -61.15 -21.19 63.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.43 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.29 -54.97 6.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.648 HG21 ' CE1' ' A' ' 78' ' ' PHE . 35.3 m -66.08 147.23 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.2 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.55 59.24 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.648 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.6 m-30 -51.85 137.51 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.3 m-80 -132.9 143.29 49.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 38.6 29.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.596 ' NZ ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -75.66 171.26 14.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 0.717 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.03 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -117.46 138.53 51.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.596 HG13 ' NZ ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -135.95 130.59 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.78 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.28 121.15 41.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 109.228 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -96.96 119.73 35.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.484 ' HA ' ' CE2' ' A' ' 159' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.877 HD13 ' HA ' ' A' ' 74' ' ' ASP . 3.4 mp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 m -39.82 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.604 1.19 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -92.51 -41.88 10.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.609 1.193 . . . . 0.0 110.228 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -58.47 -47.99 82.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -36.63 -48.63 1.3 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 179.83 -119.58 0.64 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.17 152.37 25.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.8 m -122.83 122.44 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.366 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 167' ' ' PHE . 14.5 p -93.96 131.14 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.916 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . 0.442 ' OD1' ' CD ' ' A' ' 157' ' ' LYS . 9.3 m-20 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.82 -56.49 4.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.693 HD13 ' CG2' ' A' ' 21' ' ' ILE . 36.1 pt -69.37 -42.46 81.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.442 ' CD ' ' OD1' ' A' ' 154' ' ' ASP . 4.9 mtpt -57.41 -30.97 65.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.8 t -75.97 -71.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.868 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 39.5 t90 -42.08 -54.08 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.759 HG21 ' HB3' ' A' ' 25' ' ' GLU . 75.7 t -51.3 -51.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -54.99 -32.45 61.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.607 1.192 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.518 ' HG3' HG22 ' A' ' 117' ' ' VAL . 32.7 tp60 -69.3 -47.85 63.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.238 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.868 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.7 OUTLIER -59.67 -53.77 54.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -36.64 75.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.462 ' HB2' HG23 ' A' ' 117' ' ' VAL . 5.9 tp10 -60.43 -57.52 12.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 1.03 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.7 m-30 -39.95 -46.38 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HE3' ' NZ ' ' A' ' 164' ' ' LYS . 1.5 mtpm? . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.728 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -175.66 65.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.235 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.946 HD13 ' CE2' ' A' ' 26' ' ' PHE . 1.3 mp -75.63 149.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.64 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -138.83 -178.78 16.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.64 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -139.32 116.92 11.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.25 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.22 ' CE2' HD23 ' A' ' 44' ' ' LEU . 32.1 m-85 -132.12 121.69 24.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -129.05 179.89 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 111.052 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.43 1.081 . . . . 0.0 111.057 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.987 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.9 m -55.73 -35.15 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.59 -28.27 13.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.12 -46.48 28.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.963 HG21 HG21 ' A' ' 156' ' ' ILE . 2.7 mp -61.49 -56.42 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.987 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.1 tp -54.72 -43.89 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.515 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -56.22 -53.93 51.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -63.89 -23.73 67.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.882 ' CB ' HG21 ' A' ' 160' ' ' VAL . 51.4 mm-40 -77.54 -29.67 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.946 ' CE2' HD13 ' A' ' 4' ' ' ILE . 1.5 m-85 -75.17 0.48 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.88 47.05 9.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.389 1.055 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.691 ' HB3' HG22 ' A' ' 30' ' ' VAL . 20.2 m-20 -172.84 -174.2 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.596 0.821 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -101.87 -12.6 18.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -48.35 100.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG21 ' CG ' ' A' ' 23' ' ' ARG . 53.3 t -155.12 84.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 0.0 109.397 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.53 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 66.6 p -113.85 99.53 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.361 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.962 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -108.07 165.49 11.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.601 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -58.76 -16.62 17.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.695 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.962 ' HB2' HD13 ' A' ' 33' ' ' LEU . 7.8 t70 -39.02 -31.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 33' ' ' LEU . 6.4 m -83.78 50.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.419 1.075 . . . . 0.0 109.374 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -59.12 -15.19 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.092 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -6.64 38.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.395 1.059 . . . . 0.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.63 -171.45 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.372 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -109.89 177.18 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.578 ' CG2' HG13 ' A' ' 76' ' ' VAL . 2.2 p -65.29 -11.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.451 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 39.7 p -56.29 -29.07 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.58 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -52.51 -54.35 33.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.22 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.2 pp -77.68 -34.75 52.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.727 ' N ' HD12 ' A' ' 44' ' ' LEU . 42.8 t30 -47.47 -31.02 3.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.516 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 67.0 t0 -84.41 -35.28 23.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -102.29 110.4 22.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.974 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -84.92 47.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.239 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.578 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -155.83 113.46 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.906 HD11 ' HB2' ' A' ' 44' ' ' LEU . 3.3 mt -146.3 164.85 31.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.754 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 3.1 mt -117.0 145.85 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 7' ' ' PHE . 11.9 pt . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 74' ' ' ASP . 27.9 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.938 HD21 HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -46.1 -26.71 0.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.587 ' H ' HD13 ' A' ' 73' ' ' LEU . 21.4 t70 -53.13 -21.42 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.422 ' HB3' HG11 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -76.97 -55.01 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.696 HG21 ' CE1' ' A' ' 78' ' ' PHE . 32.4 m -70.5 154.16 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.86 65.55 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' A' ' 76' ' ' VAL . 2.3 m-30 -51.06 125.67 14.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -137.73 98.08 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 88.37 64.65 1.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.762 ' NZ ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -132.24 171.25 13.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 0.787 . . . . 0.0 109.23 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.992 ' O ' HD12 ' A' ' 82' ' ' LEU . 2.1 pp -101.45 126.25 48.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.762 HG13 ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -125.88 128.55 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.754 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -101.98 162.72 12.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.78 116.92 17.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.6 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.917 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.938 HD13 HD21 ' A' ' 73' ' ' LEU . 2.8 mp . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.16 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -92.31 -41.8 10.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -58.53 -47.93 82.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -36.63 -52.27 1.42 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.45 -118.24 0.74 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.18 151.06 29.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.1 m -108.9 147.35 32.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.31 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.775 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 8.1 p -134.54 135.72 53.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.165 . . . . 0.0 110.999 -179.884 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.04 -56.67 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.963 HG21 HG21 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -52.25 -46.63 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.243 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -64.0 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.206 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 -68.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.944 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.858 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 30.2 t90 -46.81 -53.93 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.882 HG21 ' CB ' ' A' ' 25' ' ' GLU . 48.2 t -51.35 -51.64 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -54.48 -31.8 56.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -47.37 57.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.336 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.858 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -61.04 -53.41 57.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.525 ' NZ ' ' HE3' ' A' ' 2' ' ' LYS . 5.4 mmmt -64.55 -29.78 70.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -57.95 -74.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.636 1.21 . . . . 0.0 109.979 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -53.65 -53.68 48.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.949 ' CZ ' HD13 ' A' ' 82' ' ' LEU . 15.7 m-30 -53.86 -22.7 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.44 ' HB3' HG11 ' A' ' 30' ' ' VAL . 9.3 mptt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.885 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -174.83 66.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.554 HD12 HG21 ' A' ' 30' ' ' VAL . 1.1 mp -74.24 147.55 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.97 ' C ' HD13 ' A' ' 6' ' ' LEU . . . -137.36 171.81 23.01 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.97 HD13 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -131.66 115.83 16.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.05 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.3 m-85 -124.5 122.54 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.721 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -127.96 179.81 5.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 O-C-N 124.446 1.092 . . . . 0.0 111.036 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 21.9 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 m -55.34 -31.7 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 22' ' ' ILE . . . -53.22 -49.68 66.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.645 1.215 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -34.34 78.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -60.1 -56.88 14.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 19' ' ' ALA . 7.0 tp -54.77 -45.08 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.798 HH21 ' CD2' ' A' ' 33' ' ' LEU . 78.5 mtt180 -50.12 -44.4 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.96 -40.07 75.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.795 ' CG ' HD12 ' A' ' 156' ' ' ILE . 0.2 OUTLIER -57.37 -33.95 68.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.353 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 1.9 m-85 -72.05 -3.43 22.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . 37.76 86.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.174 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.79 ' HB3' HG22 ' A' ' 30' ' ' VAL . 3.2 m-20 156.44 -171.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.791 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -99.77 -18.22 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.885 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -51.23 100.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 29' ' ' ASP . 26.8 m -154.71 81.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.571 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 47.0 p -115.68 99.48 7.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.818 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -97.21 166.4 11.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.721 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -67.63 -9.45 43.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.547 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.818 ' HB2' HD13 ' A' ' 33' ' ' LEU . 11.8 t70 -39.3 -30.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.401 1.063 . . . . 0.0 109.215 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.45 ' N ' ' C ' ' A' ' 34' ' ' HIS . 13.9 p -82.32 52.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.353 1.033 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -65.44 -10.62 35.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -5.61 33.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.271 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.59 -171.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.61 176.31 5.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.541 ' CG2' HG22 ' A' ' 76' ' ' VAL . 3.5 m -64.82 -12.23 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.413 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.452 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 6.2 t -56.39 -29.94 62.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.75 -53.39 58.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.407 1.067 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.05 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.7 pp -77.28 -23.14 51.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.412 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.59 ' N ' HD12 ' A' ' 44' ' ' LEU . 55.7 t30 -61.26 -32.03 71.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.1 -45.42 49.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.66 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -92.3 117.02 29.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 111.11 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.616 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -85.25 33.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.852 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -141.42 112.18 7.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.852 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.7 mm? -141.08 161.22 38.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.389 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.69 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.8 mp -126.64 153.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.412 1.07 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 51' ' ' ILE . 3.9 mm . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 8' ' ' TYR . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -65.7 -27.29 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.2 -22.57 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -88.92 -57.37 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.63 HG21 HD11 ' A' ' 44' ' ' LEU . 48.5 t -40.44 144.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.99 54.69 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 1.002 ' CD2' HD13 ' A' ' 73' ' ' LEU . 1.7 m-30 -49.36 130.17 19.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -137.84 119.97 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.61 65.04 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.565 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -128.77 170.73 12.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.818 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -106.15 135.1 48.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.474 ' CG1' ' HE3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -136.28 134.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.926 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -105.69 135.13 47.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -115.75 115.07 25.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 159' ' ' TRP . 3.0 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 1.039 HG21 HD11 ' A' ' 73' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.42 ' OG ' HG21 ' A' ' 83' ' ' VAL . 11.5 m -72.15 -71.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.02 -18.76 5.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.231 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -76.21 -47.18 24.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.42 74.3 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 81' ' ' LYS . . . 159.78 167.07 19.88 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -106.06 146.38 30.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.387 0.698 . . . . 0.0 109.355 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -116.32 124.86 51.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.175 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.926 HG22 ' HA ' ' A' ' 84' ' ' ALA . 3.0 m -94.15 148.14 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.42 1.075 . . . . 0.0 110.984 -179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -75.8 -44.33 41.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.344 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.843 ' O ' HG23 ' A' ' 160' ' ' VAL . 3.4 pt -52.48 -40.36 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.225 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 8.0 mttt -61.83 -30.98 71.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 161' ' ' ALA . 5.6 t -68.64 -60.22 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 37.9 t90 -54.44 -55.33 29.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.002 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 156' ' ' ILE . 59.0 t -51.55 -36.96 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -68.09 -31.87 71.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -68.33 -54.93 14.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.831 ' HB3' HG21 ' A' ' 117' ' ' VAL . 0.1 OUTLIER -64.36 -54.25 35.85 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.572 1.17 . . . . 0.0 109.225 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.536 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -54.71 -32.75 60.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 2.4 t -64.31 -75.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.087 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.12 -54.72 12.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.744 ' CZ ' HD13 ' A' ' 82' ' ' LEU . 13.5 m-30 -49.34 -37.72 25.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.432 1.083 . . . . 0.0 111.018 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.787 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -176.16 69.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.607 1.192 . . . . 0.0 109.283 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.761 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.7 OUTLIER -80.16 148.13 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.877 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -137.64 175.3 21.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.575 HD13 HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -134.38 117.09 15.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.736 . . . . 0.0 109.254 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.14 ' CE2' HD23 ' A' ' 44' ' ' LEU . 9.8 m-85 -128.77 122.06 29.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.637 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -136.48 179.87 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.067 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.88 ' O ' HG22 ' A' ' 22' ' ' ILE . 13.1 p -55.29 -40.03 54.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -53.41 -30.57 40.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.54 -43.29 60.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.218 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.205 ' CG2' HD13 ' A' ' 156' ' ' ILE . 2.5 mp -63.29 -55.18 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.88 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.6 tp -59.12 -33.13 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.465 ' CB ' HG21 ' A' ' 31' ' ' VAL . 12.3 ttt-85 -65.11 -54.2 33.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -20.0 65.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.586 1.178 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 1.206 ' CG ' HD12 ' A' ' 156' ' ' ILE . 3.9 mm-40 -77.7 -49.35 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.761 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.7 OUTLIER -50.5 -20.93 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 111.003 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 -67.43 1.88 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.55 ' CB ' HG22 ' A' ' 30' ' ' VAL . 2.0 m120 -73.56 -172.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.44 -7.54 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.787 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -48.6 99.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 30' ' ' VAL . 17.0 t -156.4 84.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.566 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 72.8 p -114.72 99.22 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.972 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -112.9 163.05 15.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.598 1.186 . . . . 0.0 109.237 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 2.0 p-80 -39.13 -30.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.566 1.167 . . . . 0.0 109.551 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.972 ' HB2' HD13 ' A' ' 33' ' ' LEU . 7.6 t0 -39.21 -31.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 33' ' ' LEU . 16.9 m -82.01 52.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.3 t -63.78 -11.5 27.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -6.25 35.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.74 126.92 37.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -169.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.511 HG23 HD21 ' A' ' 44' ' ' LEU . 7.6 p -65.61 -11.36 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.468 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 4.7 t -58.17 -26.54 62.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.606 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -55.82 -53.97 50.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.14 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.2 pp -76.35 -22.37 54.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 54.6 t30 -63.51 -30.44 71.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.235 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.468 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 12.3 m-20 -83.04 -40.69 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.652 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.59 115.75 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.482 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -85.77 43.63 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.993 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -154.39 112.67 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.993 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.0 mm? -139.43 165.54 26.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.877 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.1 mp -121.99 139.28 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.596 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 6.2 pt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.364 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.538 ' HG3' HD13 ' A' ' 73' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.814 HD22 ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -53.85 -26.35 24.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.219 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.618 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -72.04 -21.4 61.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.64 -59.53 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.699 HG21 ' CE1' ' A' ' 78' ' ' PHE . 15.2 m -45.28 168.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.72 59.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.699 ' CE1' HG21 ' A' ' 76' ' ' VAL . 2.3 m-30 -61.64 121.88 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.108 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -138.29 95.52 3.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 93.1 64.94 1.08 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.6 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -133.53 170.86 14.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.033 HD13 ' CE2' ' A' ' 167' ' ' PHE . 2.1 pp -102.54 132.0 48.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.502 HG13 ' CE ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -128.16 118.41 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.865 ' O ' HG23 ' A' ' 51' ' ' ILE . . . -101.71 113.86 27.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.467 ' CD2' HG13 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -97.23 138.1 35.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.055 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' ILE . 9.8 p90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.525 HG21 HD23 ' A' ' 73' ' ' LEU . 2.2 mp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' ILE . 74.6 m -38.04 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.951 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -94.64 -50.53 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.404 ' NE ' ' HA ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -58.08 -15.39 9.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -101.42 -20.98 12.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 165.18 -134.35 3.29 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.78 148.92 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.3 t -121.65 137.93 54.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.435 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.653 HG22 ' HA ' ' A' ' 84' ' ' ALA . 10.3 m -113.81 145.99 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.7 ttp85 -75.69 -35.34 60.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.361 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 1.206 HD12 ' CG ' ' A' ' 25' ' ' GLU . 1.3 pt -71.94 -37.45 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.566 ' HG2' ' OE2' ' A' ' 25' ' ' GLU . 17.0 mttt -67.75 -31.46 71.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.129 . . . . 0.0 109.207 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 13.6 t -77.18 -52.15 9.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.105 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.862 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 30.5 t90 -57.54 -56.45 21.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 108.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.878 HG21 ' HB3' ' A' ' 25' ' ' GLU . 35.7 t -50.53 -52.02 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -55.56 -31.14 61.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -71.8 -47.84 50.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.862 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -58.93 -54.61 45.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.454 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -64.3 -35.2 80.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.7 t -52.6 -78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -50.2 -60.22 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 1.033 ' CE2' HD13 ' A' ' 82' ' ' LEU . 16.2 m-30 -46.21 -23.75 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.374 1.046 . . . . 0.0 111.02 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mttt . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.786 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -177.79 64.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.449 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -73.92 151.65 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.635 1.209 . . . . 0.0 109.36 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.886 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -141.41 -179.87 18.97 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -143.52 115.85 8.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.23 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.983 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.3 m-85 -125.09 119.7 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.637 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -121.91 179.96 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 O-C-N 124.551 1.157 . . . . 0.0 110.932 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.472 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 69.8 m . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 22' ' ' ILE . 95.5 t -55.29 -40.9 58.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.245 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.4 -41.48 60.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.22 -29.68 66.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.681 HG23 HD13 ' A' ' 156' ' ' ILE . 1.8 mp -69.52 -55.4 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.612 HD12 ' CG2' ' A' ' 160' ' ' VAL . 6.0 tp -54.91 -43.09 66.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.8 HH21 ' HG ' ' A' ' 33' ' ' LEU . 47.0 mtt180 -58.03 -53.8 54.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.391 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.77 -21.6 66.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 1.19 ' CG ' HD12 ' A' ' 156' ' ' ILE . 2.1 mm-40 -74.85 -48.03 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.249 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.449 ' CD1' HD13 ' A' ' 4' ' ' ILE . 1.4 m-85 -55.99 -16.8 5.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.1 -86.17 1.1 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.773 ' CB ' HG22 ' A' ' 30' ' ' VAL . 7.5 m-80 -42.41 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.801 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -71.57 -12.1 61.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 3' ' ' LYS . 2.4 m -49.55 100.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 29' ' ' ASP . 27.9 m -154.37 81.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.556 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 19.9 p -112.03 100.07 8.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.977 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -102.44 165.32 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.637 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -58.8 -16.73 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.603 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.977 ' HB2' HD13 ' A' ' 33' ' ' LEU . 26.2 t0 -39.44 -30.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.612 1.195 . . . . 0.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 36' ' ' VAL . 95.7 t -82.11 52.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.582 1.176 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 t -65.78 -10.13 34.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.085 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -5.56 32.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.05 135.13 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.46 -172.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.247 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.6 m -65.32 -11.8 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.3 t -54.46 -27.9 40.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.59 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -62.87 -53.13 58.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.983 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.4 pp -73.28 -22.58 60.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.621 ' N ' HD12 ' A' ' 44' ' ' LEU . 60.7 t30 -69.55 -30.86 68.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.527 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 79.5 m-20 -69.33 -38.93 78.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.633 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -100.34 121.0 40.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.45 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -88.51 37.15 0.81 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.484 ' HB3' ' CG ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -154.57 110.91 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.715 HD22 ' CD1' ' A' ' 7' ' ' PHE . 1.2 mp -144.32 164.93 29.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.136 HG21 ' CH2' ' A' ' 159' ' ' TRP . 1.4 mp -121.26 154.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.614 1.196 . . . . 0.0 109.348 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 7' ' ' PHE . 2.9 pp . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.796 HD22 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -55.02 -26.33 36.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.218 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.796 ' N ' HD22 ' A' ' 73' ' ' LEU . 5.9 t70 -52.15 -21.92 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.187 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -56.98 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.361 1.038 . . . . 0.0 109.269 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 44' ' ' LEU . 39.6 t -50.0 142.56 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.12 53.67 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.536 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 1.8 m-85 -49.96 132.36 22.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -140.63 146.99 38.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 39.72 48.37 3.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.536 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -117.35 171.65 7.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.277 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.8 pp -110.89 127.15 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.479 HG23 ' CD ' ' A' ' 81' ' ' LYS . 2.9 t -127.63 121.05 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.574 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -102.07 162.86 12.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.489 ' CD2' HD11 ' A' ' 52' ' ' ILE . 1.7 t80 -138.11 131.19 30.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 6.9 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.566 HG21 HD23 ' A' ' 73' ' ' LEU . 36.5 mm . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.61 -77.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.408 ' NE2' HG22 ' A' ' 116' ' ' THR . 32.5 mm-40 -91.99 -43.45 9.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -58.64 -42.2 87.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -62.72 -35.09 91.43 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.429 1.081 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.14 -106.73 0.28 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.467 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -123.96 146.56 48.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 0.796 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.408 HG22 ' NE2' ' A' ' 111' ' ' GLN . 10.1 t -119.04 133.52 55.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.445 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.671 HG11 ' CB ' ' A' ' 166' ' ' GLU . 4.3 m -121.28 139.15 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.595 1.185 . . . . 0.0 111.012 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -32.43 59.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.581 1.176 . . . . 0.0 110.285 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 1.19 HD12 ' CG ' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -69.14 -38.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -31.04 70.85 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.1 m -72.45 -58.66 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 1.136 ' CH2' HG21 ' A' ' 51' ' ' ILE . 44.4 t90 -55.98 -52.74 63.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 1.003 HG21 ' HB3' ' A' ' 25' ' ' GLU . 45.5 t -51.1 -51.71 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.234 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.81 -32.07 67.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -66.49 -47.31 73.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.228 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.848 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -63.82 -53.66 47.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -58.03 -33.53 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.94 -69.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.671 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.6 OUTLIER -58.21 -57.45 12.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 110.323 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 1.277 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.9 m-30 -36.84 -49.47 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.749 ' HA ' HG12 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -176.52 68.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.46 HD12 ' HB ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -82.77 148.88 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.836 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -137.69 177.63 19.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.74 116.29 13.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.745 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.108 ' CE2' HD23 ' A' ' 44' ' ' LEU . 6.4 m-85 -128.43 120.54 27.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.746 ' CE2' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -121.79 173.23 7.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.453 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.674 ' O ' HG22 ' A' ' 22' ' ' ILE . 31.3 m -56.51 -46.63 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 109.4 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -56.83 -29.66 63.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -36.05 64.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.408 1.067 . . . . 0.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.9 mp -69.4 -56.39 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 18' ' ' VAL . 4.4 tp -55.25 -38.31 47.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.456 1.098 . . . . 0.0 109.203 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.864 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.72 -54.1 50.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.1 -19.6 64.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.946 ' HB3' HG21 ' A' ' 160' ' ' VAL . 3.1 mm-40 -76.38 -48.79 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CD2' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -56.54 -16.28 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.62 -80.54 1.37 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.547 ' CB ' HG22 ' A' ' 30' ' ' VAL . 14.6 m-20 -57.59 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 0.808 . . . . 0.0 109.349 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -94.04 -6.29 45.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -48.13 99.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.864 HG21 ' CG ' ' A' ' 23' ' ' ARG . 2.9 t -155.6 81.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.536 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 67.1 p -109.42 99.67 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.357 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.829 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -98.73 167.2 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.746 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -74.22 -5.75 43.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.656 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.829 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.0 m-20 -39.93 -30.23 0.08 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.638 1.211 . . . . 0.0 109.395 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.438 ' N ' ' C ' ' A' ' 34' ' ' HIS . 24.7 m -87.48 46.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -53.9 -19.57 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -5.47 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.79 -171.68 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -107.15 164.19 12.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 10.5 m -65.12 -12.13 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.447 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 7.7 t -54.57 -28.23 44.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.566 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -57.97 -53.56 56.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.358 1.036 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.108 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.1 pp -77.54 -24.38 49.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.51 ' N ' HD12 ' A' ' 44' ' ' LEU . 52.3 t30 -58.29 -34.84 70.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.571 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 28.3 t70 -77.88 -42.72 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -95.22 107.84 19.95 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.517 1.136 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.616 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.9 pt20 -82.02 48.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.347 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.616 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -154.2 113.27 3.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.007 HD22 ' CE1' ' A' ' 7' ' ' PHE . 4.8 mt -143.29 165.28 27.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.608 1.192 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 5' ' ' GLY . 1.9 mp -124.31 150.39 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.434 1.084 . . . . 0.0 109.34 -179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 110.334 -0.246 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.918 HD23 HG13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -49.0 -26.82 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 109.217 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.804 ' N ' HD22 ' A' ' 73' ' ' LEU . 26.1 t0 -54.77 -21.48 11.22 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -76.36 -53.58 7.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.38 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.69 HG21 ' CE1' ' A' ' 78' ' ' PHE . 29.9 m -72.39 162.46 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -105.59 68.05 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.69 ' CE1' HG21 ' A' ' 76' ' ' VAL . 2.3 m-30 -58.35 111.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.17 92.95 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.436 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . 99.21 35.94 4.58 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.09 166.23 10.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.42 0.718 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.005 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -102.61 129.77 49.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.8 132.59 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.723 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.04 142.87 32.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -106.12 118.58 36.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.481 ' HA ' ' CZ2' ' A' ' 159' ' ' TRP . 39.6 p90 . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.918 HG13 HD23 ' A' ' 73' ' ' LEU . 16.7 mm . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.1 t -53.29 -57.07 11.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.384 1.053 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.52 -3.83 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.427 ' CB ' ' HA ' ' A' ' 109' ' ' ILE . 2.5 tpt180 -74.24 -51.07 16.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.3 126.99 0.91 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.408 1.068 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.436 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 132.14 -131.76 6.4 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.29 146.68 40.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 t -123.9 122.46 38.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.464 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 167' ' ' PHE . 7.1 p -111.55 162.66 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.384 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . 0.464 ' HB2' ' CE ' ' A' ' 157' ' ' LYS . 4.6 p-10 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -50.08 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.9 -40.93 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 12.6 pttt -65.01 -31.01 72.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.3 t -74.31 -60.66 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.002 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.863 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 28.2 t90 -53.14 -57.35 10.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.946 HG21 ' HB3' ' A' ' 25' ' ' GLU . 69.8 t -50.52 -51.76 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -54.76 -31.61 58.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.645 1.215 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.85 -49.28 39.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.863 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -58.1 -53.65 55.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.533 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -63.85 -35.2 79.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -52.56 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 117' ' ' VAL . 14.9 mt-10 -51.89 -61.35 2.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.633 1.208 . . . . 0.0 110.222 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 1.005 ' CE1' HD13 ' A' ' 82' ' ' LEU . 15.9 m-30 -44.7 -25.1 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.387 1.054 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mttp . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.909 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -175.06 73.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.636 HD13 ' CE1' ' A' ' 26' ' ' PHE . 1.1 mp -84.59 149.07 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.618 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -135.28 171.6 22.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.55 116.37 15.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.056 ' CE2' HD23 ' A' ' 44' ' ' LEU . 8.5 m-85 -125.69 128.8 48.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.648 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -128.33 179.95 5.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.486 ' O ' HD12 ' A' ' 21' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.836 ' O ' HG22 ' A' ' 22' ' ' ILE . 95.3 t -55.41 -47.24 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.67 -33.27 33.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -39.4 69.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.421 1.076 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.872 HG22 HG21 ' A' ' 156' ' ' ILE . 2.5 mp -66.51 -56.98 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.194 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.936 ' CD1' HG22 ' A' ' 160' ' ' VAL . 2.4 tp -55.9 -33.13 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.94 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.69 -54.28 44.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.627 1.204 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.12 -40.42 97.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.627 1.204 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.791 ' HB3' HG21 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -57.17 -49.74 75.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.636 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.6 OUTLIER -49.75 -21.28 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.99 67.27 2.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.777 ' HB3' HG22 ' A' ' 30' ' ' VAL . 2.5 t30 170.62 -158.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.3 -18.53 12.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.06 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.909 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -48.43 99.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.94 HG21 ' CG ' ' A' ' 23' ' ' ARG . 3.0 t -156.13 81.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.564 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 51.0 p -112.72 99.41 7.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -94.69 164.78 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.648 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -76.76 -0.68 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.596 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.897 ' HB2' HD13 ' A' ' 33' ' ' LEU . 2.8 m-20 -39.25 -30.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.6 m -84.6 50.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -60.69 -14.37 20.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -71.23 -5.43 31.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.35 -171.58 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.44 168.32 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 110.289 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.597 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 5.8 m -64.22 -12.83 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.432 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 15.5 p -54.19 -29.84 47.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.411 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.516 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -57.4 -53.5 57.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.056 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.5 pp -77.2 -23.46 51.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.621 ' N ' HD12 ' A' ' 44' ' ' LEU . 41.0 t30 -62.7 -31.14 71.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.243 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.95 -40.62 68.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.634 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -95.39 118.3 31.89 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.528 1.142 . . . . 0.0 111.108 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.477 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 3.6 mt-30 -84.63 40.88 0.82 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.844 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -155.12 113.47 3.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.073 . . . . 0.0 110.955 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.844 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.8 mm? -141.56 162.91 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 5' ' ' GLY . 2.8 mp -118.1 148.3 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 mm . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -53.61 -25.58 18.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.798 ' N ' HD22 ' A' ' 73' ' ' LEU . 17.7 t0 -68.16 -20.54 64.89 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.09 -63.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.715 HG21 ' CE1' ' A' ' 78' ' ' PHE . 7.7 m -40.31 152.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.308 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -88.51 44.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.715 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.9 m-30 -38.02 134.68 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -139.29 124.21 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 49.61 66.16 2.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.619 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -128.77 171.44 12.23 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.26 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.9 OUTLIER -106.19 135.35 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.245 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.482 ' CG2' ' HE3' ' A' ' 81' ' ' LYS . 1.0 OUTLIER -135.27 121.36 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.744 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.91 119.84 39.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -97.97 123.49 42.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 111.026 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.458 HG22 ' HZ1' ' A' ' 81' ' ' LYS . 1.1 mp . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.564 ' HB3' HG21 ' A' ' 116' ' ' THR . 53.9 m -58.76 -40.31 83.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -86.67 11.61 12.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.371 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -54.94 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.075 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -178.08 98.12 0.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 159.82 169.17 22.79 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 146.5 31.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 0.812 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.564 HG21 ' HB3' ' A' ' 110' ' ' SER . 81.3 p -117.39 122.44 43.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.574 1.171 . . . . 0.0 110.433 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.744 HG22 ' HA ' ' A' ' 84' ' ' ALA . 11.8 m -107.17 142.89 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . 0.463 ' HB3' ' CD ' ' A' ' 157' ' ' LYS . 46.9 m-20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -55.85 -40.74 73.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.872 HG21 HG22 ' A' ' 21' ' ' ILE . 1.6 mp -56.48 -52.54 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.463 ' CD ' ' HB3' ' A' ' 154' ' ' ASP . 26.5 mtpt -48.52 -43.01 34.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.705 ' O ' ' HB3' ' A' ' 161' ' ' ALA . 8.1 t -57.44 -64.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.186 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.918 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 32.8 t90 -46.3 -57.93 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 108.029 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.936 HG22 ' CD1' ' A' ' 22' ' ' ILE . 87.3 t -50.0 -31.26 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 158' ' ' SER . . . -68.48 -33.99 75.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.813 ' HG2' HD23 ' A' ' 163' ' ' LEU . 1.9 pt20 -74.58 -39.2 62.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.918 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 4.6 mt -60.85 -54.09 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.448 ' NZ ' ' HA ' ' A' ' 164' ' ' LYS . 0.2 OUTLIER -61.52 -35.02 76.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -64.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.528 ' HB2' HG11 ' A' ' 117' ' ' VAL . 0.7 OUTLIER -67.43 -54.53 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 1.26 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.5 m-30 -35.74 -52.62 0.71 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.539 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.7 OUTLIER 179.81 70.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.802 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -73.93 135.43 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.97 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -138.06 -179.92 17.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.571 HD13 HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -140.61 116.3 10.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.726 . . . . 0.0 109.319 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.88 ' CE2' HD23 ' A' ' 44' ' ' LEU . 9.6 m-85 -121.11 143.9 48.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -138.18 123.43 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 p . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.751 ' O ' HG22 ' A' ' 22' ' ' ILE . 35.6 m -62.42 -38.16 80.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.61 -31.87 26.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.94 -39.97 65.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 21' ' ' ILE . 1.7 mp -66.69 -56.27 14.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.316 ' CD1' HG22 ' A' ' 160' ' ' VAL . 4.2 tp -57.1 -33.41 42.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' CG ' HG21 ' A' ' 31' ' ' VAL . 1.6 tmt_? -62.98 -53.84 47.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.301 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.12 -34.76 64.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 1.059 ' CB ' HG11 ' A' ' 160' ' ' VAL . 63.4 mm-40 -65.79 -49.73 67.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.913 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -53.68 -18.76 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.16 64.51 4.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.762 ' HB3' HG22 ' A' ' 30' ' ' VAL . 9.0 m-20 169.99 -172.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.774 . . . . 0.0 109.259 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.86 -16.14 18.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.221 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.762 HG22 ' HB3' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -47.94 99.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.522 HG21 ' CG ' ' A' ' 23' ' ' ARG . 53.1 t -156.19 85.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.535 ' O ' ' HA3' ' A' ' 5' ' ' GLY . 7.7 p -113.13 99.43 7.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.649 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -104.02 166.51 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.387 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -59.9 -15.49 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.575 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.502 ' HB2' HD13 ' A' ' 33' ' ' LEU . 9.1 m-20 -37.35 -33.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.415 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 33' ' ' LEU . 5.9 m -81.22 53.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.1 t -63.64 -11.1 22.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -5.68 32.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.98 -171.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.354 1.034 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -115.02 -175.14 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.361 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.521 HG11 ' HB3' ' A' ' 75' ' ' ASP . 2.4 m -65.74 -11.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -58.48 -27.48 64.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.542 1.151 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.464 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -68.74 -54.64 14.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.88 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.3 pp -62.68 -27.46 69.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.55 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.3 t30 -74.5 -30.96 62.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.04 -39.23 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.65 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.63 145.81 28.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.508 ' CB ' ' HB3' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -107.79 39.1 2.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.225 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.482 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -155.4 113.63 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.634 HD23 ' CA ' ' A' ' 5' ' ' GLY . 46.9 mt -151.74 165.03 35.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.97 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.1 mp -130.29 153.96 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' ASP . 16.1 mp0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.983 HD23 ' CG1' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -44.69 -26.98 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.613 ' H ' HD13 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -51.31 -22.05 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.521 ' HB3' HG11 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -100.26 -44.65 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.804 HG11 ' CE1' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -54.08 -171.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.598 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.0 p-10 -145.81 66.77 1.21 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.804 ' CE1' HG11 ' A' ' 76' ' ' VAL . 6.2 m-30 -61.49 113.54 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.451 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 1.8 m-80 -129.72 61.9 1.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.94 58.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.841 ' O ' ' HA3' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -147.14 169.44 19.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.392 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -96.36 128.17 43.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.756 ' O ' ' HA ' ' A' ' 116' ' ' THR . 0.0 OUTLIER -131.59 123.29 52.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 1.055 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.93 162.4 12.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.662 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 0.3 OUTLIER -129.08 130.65 46.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.931 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.747 ' CD2' ' CH2' ' A' ' 159' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.983 ' CG1' HD23 ' A' ' 73' ' ' LEU . 1.7 mp . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.445 ' CB ' ' HB ' ' A' ' 116' ' ' THR . 0.7 OUTLIER -55.57 -62.12 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.065 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -54.1 -19.41 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.308 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -75.37 -42.57 53.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.417 ' HA3' ' C ' ' A' ' 79' ' ' ASN . . . 173.44 127.41 0.98 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 119.09 -140.27 14.95 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.65 154.56 41.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 0.808 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.756 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -122.55 147.32 46.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.573 1.17 . . . . 0.0 110.373 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 1.055 HG22 ' HA ' ' A' ' 84' ' ' ALA . 5.9 m -135.84 152.73 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.8 p30 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -75.89 -56.53 4.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.7 OUTLIER -52.32 -44.95 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -31.04 71.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -61.79 -71.76 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.87 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 17.7 t90 -46.23 -51.08 15.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 108.01 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 1.316 HG22 ' CD1' ' A' ' 22' ' ' ILE . 33.1 t -51.37 -40.61 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -69.31 -31.59 70.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.57 -46.05 80.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.87 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.2 OUTLIER -71.84 -54.22 10.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.913 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -53.71 -39.85 65.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 12.8 m -61.92 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.726 ' CB ' HG11 ' A' ' 117' ' ' VAL . 4.2 mm-40 -46.04 -61.92 1.55 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.964 ' CZ ' ' HB2' ' A' ' 84' ' ' ALA . 13.1 m-30 -37.53 -60.27 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.955 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.609 ' HG2' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.64 71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.966 HD12 HG11 ' A' ' 30' ' ' VAL . 1.1 mt -97.56 137.85 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.913 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -136.9 -175.77 13.98 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.22 117.18 8.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.752 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.9 m-85 -125.24 127.07 46.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.615 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.6 OUTLIER -122.57 179.78 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 111.036 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.406 1.066 . . . . 0.0 111.02 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.937 ' O ' HG22 ' A' ' 22' ' ' ILE . 10.9 m -55.27 -37.3 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.449 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -57.44 -33.29 67.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -37.96 66.59 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.923 HG22 HG21 ' A' ' 156' ' ' ILE . 2.4 mp -66.69 -56.36 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.986 ' CD1' HG22 ' A' ' 160' ' ' VAL . 2.6 tp -55.07 -36.95 40.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.651 ' CG ' HG21 ' A' ' 31' ' ' VAL . 3.6 tmt_? -59.2 -53.99 51.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -62.01 -40.88 97.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.871 ' OE2' ' HE2' ' A' ' 157' ' ' LYS . 65.1 mm-40 -57.62 -49.92 74.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.335 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.623 ' HE1' HD13 ' A' ' 4' ' ' ILE . 0.7 OUTLIER -55.21 -17.61 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.073 179.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.7 45.6 93.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.402 1.064 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -173.48 155.9 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -70.34 -7.78 45.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.966 HG11 HD12 ' A' ' 4' ' ' ILE . 2.2 t -55.71 100.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.71 ' O ' HG12 ' A' ' 31' ' ' VAL . 2.8 t -156.44 81.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.59 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 20.5 p -108.3 98.92 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.185 . . . . 0.0 110.425 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.81 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -95.24 164.09 12.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.615 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.57 2.4 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.651 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.81 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.8 m-20 -37.9 -32.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.654 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.4 m -83.38 51.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -60.46 -13.92 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -5.6 31.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.92 -171.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.15 167.89 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.234 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.51 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 4.1 m -65.41 -11.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 p -53.77 -27.49 29.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.404 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -67.56 -53.51 27.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.752 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.5 pp -68.45 -22.87 64.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.557 ' N ' HD12 ' A' ' 44' ' ' LEU . 43.7 t30 -75.19 -30.72 60.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 12.3 t0 -63.85 -40.14 95.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.625 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -100.65 143.68 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 111.047 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.512 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.8 OUTLIER -107.7 40.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.512 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -155.83 113.23 3.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.678 HD23 ' CA ' ' A' ' 5' ' ' GLY . 26.7 mt -149.57 165.58 31.81 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.103 HG21 ' CH2' ' A' ' 159' ' ' TRP . 3.6 mp -127.3 158.6 38.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.418 HD11 HD21 ' A' ' 73' ' ' LEU . 2.3 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -57.17 -26.11 60.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.6 -20.97 66.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.57 -63.08 1.49 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.68 HG21 ' CE1' ' A' ' 78' ' ' PHE . 13.7 m -44.38 150.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -86.34 47.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.5 m-30 -38.81 105.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.09 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -63.62 -151.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.646 1.216 . . . . 0.0 109.235 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.453 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . -67.01 57.58 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.377 1.048 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HD3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.2 171.39 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.352 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.25 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -100.84 138.73 37.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.48 ' CG2' ' HE2' ' A' ' 81' ' ' LYS . 0.5 OUTLIER -140.24 121.17 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.764 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.92 157.34 16.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.589 ' O ' ' NE1' ' A' ' 159' ' ' TRP . 0.1 OUTLIER -130.08 134.17 47.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.393 1.058 . . . . 0.0 111.022 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.574 ' HA ' ' NE1' ' A' ' 159' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 111.053 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.78 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.441 ' HG3' ' CG2' ' A' ' 116' ' ' THR . 1.4 mt-30 -92.0 -46.66 7.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -58.97 -15.77 14.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 79' ' ' ASN . . . -108.46 27.15 14.32 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 124.393 1.058 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.453 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 112.5 -118.06 4.53 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.624 0.838 . . . . 0.0 111.024 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -119.17 147.78 43.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.796 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.441 ' CG2' ' HG3' ' A' ' 111' ' ' GLN . 4.0 t -131.93 137.52 47.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.419 1.074 . . . . 0.0 110.403 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 84' ' ' ALA . 10.2 m -125.08 142.83 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.43 1.081 . . . . 0.0 111.082 -179.894 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.531 ' HG2' HD13 ' A' ' 156' ' ' ILE . 9.6 ttm180 -75.79 -56.34 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.244 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.923 HG21 HG22 ' A' ' 21' ' ' ILE . 1.2 mm -70.62 -41.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.871 ' HE2' ' OE2' ' A' ' 25' ' ' GLU . 6.1 mttt -59.35 -31.35 69.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.0 t -74.34 -66.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.057 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 1.103 ' CH2' HG21 ' A' ' 51' ' ' ILE . 50.7 t90 -44.06 -53.02 6.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 107.942 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.986 HG22 ' CD1' ' A' ' 22' ' ' ILE . 13.7 t -51.2 -51.85 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.54 -32.29 62.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.3 -44.76 74.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.422 1.076 . . . . 0.0 110.307 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.845 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -65.35 -53.73 39.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.242 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.619 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -59.51 -33.28 71.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -67.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.721 ' CB ' HG11 ' A' ' 117' ' ' VAL . 1.6 tp10 -60.67 -57.48 12.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.345 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 1.25 ' CE1' HD13 ' A' ' 82' ' ' LEU . 11.0 m-30 -37.57 -61.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.529 ' CB ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.78 ' HG3' HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -175.31 48.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.682 HG23 ' HB2' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -73.69 161.26 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.559 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -169.86 -144.52 4.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -153.78 127.86 9.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.231 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.899 ' CE2' HD23 ' A' ' 44' ' ' LEU . 8.5 m-85 -126.14 141.93 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -132.98 166.5 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 110.956 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.476 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 m -55.31 -36.61 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.76 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -34.74 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -61.3 -56.68 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.923 HD11 HG23 ' A' ' 160' ' ' VAL . 6.8 tp -54.83 -42.15 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.881 ' HG3' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.77 -51.41 56.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.456 ' N ' ' CD ' ' A' ' 23' ' ' ARG . 35.6 t0 -63.94 -37.48 87.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.557 ' HB3' HG11 ' A' ' 160' ' ' VAL . 59.0 mm-40 -58.38 -49.99 75.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.629 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 1.7 m-85 -49.7 -21.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.19 -46.29 2.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.518 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.8 m120 -90.83 -172.14 3.26 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.405 0.709 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.898 ' O ' HG12 ' A' ' 31' ' ' VAL . 28.4 t0 -95.8 0.55 52.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.529 HG11 ' CB ' ' A' ' 2' ' ' LYS . 1.6 m -59.52 99.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.898 HG12 ' O ' ' A' ' 29' ' ' ASP . 0.7 OUTLIER -155.68 98.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.78 HG21 ' HG3' ' A' ' 3' ' ' LYS . 11.4 p -129.56 99.1 5.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.66 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -104.63 158.32 16.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.426 ' C ' ' N ' ' A' ' 36' ' ' VAL . 37.5 p-80 -39.21 -30.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.596 1.185 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -39.09 -31.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 33' ' ' LEU . 31.5 m -79.9 55.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -71.89 -4.99 31.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -5.47 32.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB1' ' OD2' ' A' ' 43' ' ' ASP . . . -133.0 143.39 49.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -63.16 -169.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 5.5 m -67.5 -11.7 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.0 t -56.0 -29.04 59.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.611 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -61.85 -53.19 59.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.899 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.3 pp -72.25 -23.04 61.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.655 ' N ' HD12 ' A' ' 44' ' ' LEU . 54.5 t30 -67.07 -33.24 75.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -76.71 -41.27 45.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.619 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.49 111.68 23.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.662 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.5 pt20 -87.86 40.86 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.682 ' HB2' HG23 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -147.69 110.48 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.859 HD13 ' CD1' ' A' ' 7' ' ' PHE . 37.4 mt -153.64 140.84 19.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.747 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.7 mt -96.16 162.3 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.44 HD11 HG11 ' A' ' 83' ' ' VAL . 2.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 74' ' ' ASP . 26.1 tt0 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.871 HD23 HG12 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -44.6 -27.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.594 ' H ' HD13 ' A' ' 73' ' ' LEU . 31.4 t70 -49.1 -23.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -57.64 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.696 HG21 HD11 ' A' ' 44' ' ' LEU . 64.5 t -51.35 142.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.412 1.07 . . . . 0.0 109.265 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -88.84 62.41 6.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CD1' ' HD2' ' A' ' 81' ' ' LYS . 1.7 m-30 -50.92 120.78 5.16 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.54 127.51 49.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.6 14.71 29.81 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.587 ' HD2' ' CD1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -73.75 169.83 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.886 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -118.55 131.33 56.22 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.416 1.073 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 3.0 t -135.89 132.53 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.792 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -101.36 162.84 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -132.88 131.96 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.3 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 111.053 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.871 HG12 HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.462 ' CB ' ' OG1' ' A' ' 116' ' ' THR . 0.8 OUTLIER -60.31 -61.59 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.389 1.055 . . . . 0.0 110.0 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -69.26 -32.22 71.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -63.1 -40.55 97.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.71 69.64 0.09 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 110' ' ' SER . . . 164.01 -152.2 21.92 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 146.61 37.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.767 . . . . 0.0 109.235 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.462 ' OG1' ' CB ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -112.28 127.43 55.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.741 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 14.6 p -115.24 132.32 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . 0.456 ' HB2' ' CD ' ' A' ' 157' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -75.84 -32.37 59.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 156' ' ' ILE . 0.9 OUTLIER -66.49 -52.43 46.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' ' 154' ' ' ASP . 0.0 OUTLIER -50.19 -30.87 12.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 t -73.45 -45.34 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.865 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 92.1 t90 -61.17 -55.42 32.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.126 . . . . 0.0 107.998 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.923 HG23 HD11 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -57.23 -47.96 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.474 ' N ' ' CG1' ' A' ' 160' ' ' VAL . . . -57.51 -32.38 66.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -65.89 -41.06 92.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.865 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.4 OUTLIER -67.08 -53.37 31.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.461 ' NZ ' ' HA ' ' A' ' 164' ' ' LYS . 0.2 OUTLIER -58.18 -38.75 77.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.586 1.179 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 17.8 m -56.87 -65.41 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.085 . . . . 0.0 110.033 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.701 ' HB2' HG21 ' A' ' 117' ' ' VAL . 2.7 mm-40 -53.44 -55.37 25.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.886 ' CE1' HD13 ' A' ' 82' ' ' LEU . 21.5 m-30 -57.19 -18.2 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 110.952 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.695 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -174.88 66.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.206 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.74 147.74 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.751 ' O ' HD23 ' A' ' 6' ' ' LEU . . . -139.61 -179.25 17.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -141.14 117.19 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.848 ' CE2' HD23 ' A' ' 44' ' ' LEU . 10.2 m-85 -127.65 133.29 49.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -132.75 177.93 7.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.609 1.193 . . . . 0.0 111.013 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 23.9 m . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.708 ' O ' HG22 ' A' ' 22' ' ' ILE . 88.6 t -64.16 -47.34 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.56 -27.6 11.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.02 -38.71 61.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.522 HG23 HD13 ' A' ' 156' ' ' ILE . 2.2 mp -69.3 -56.16 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 18' ' ' VAL . 3.9 tp -58.67 -33.49 49.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.568 1.168 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -53.92 49.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.48 -24.58 67.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.64 ' HB3' HG21 ' A' ' 160' ' ' VAL . 13.6 mm-40 -75.28 -39.66 59.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.599 ' CE1' ' HD2' ' A' ' 164' ' ' LYS . 1.2 m-85 -77.18 1.94 16.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . 41.09 -162.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.427 ' CB ' HG22 ' A' ' 30' ' ' VAL . 14.9 m-20 47.22 -172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.747 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -96.84 -6.29 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 3' ' ' LYS . 7.7 m -57.88 98.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.624 ' CG1' HD21 ' A' ' 33' ' ' LEU . 76.0 t -157.04 81.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.587 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 22.0 p -116.5 98.85 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.892 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -119.09 167.4 11.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' VAL . 26.3 p-80 -39.64 -29.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' LEU . 6.3 t70 -38.41 -31.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.422 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 33' ' ' LEU . 14.8 m -86.93 47.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.5 p -55.1 -18.68 5.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -5.65 32.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.556 ' HB1' ' OD2' ' A' ' 43' ' ' ASP . . . -119.97 119.86 34.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.32 -168.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.433 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 1.6 m -63.9 -12.41 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 t -57.98 -27.72 63.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.556 ' OD2' ' HB1' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -71.18 -52.83 16.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.848 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.1 pp -66.0 -23.92 66.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.506 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -77.95 -31.09 50.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.6 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 30.6 t70 -70.54 -39.2 74.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.6 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -99.64 142.4 31.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.989 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.483 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -107.96 38.99 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.483 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -154.58 112.7 3.51 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.437 1.086 . . . . 0.0 111.057 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.669 HD22 ' CD1' ' A' ' 7' ' ' PHE . 15.6 mt -149.21 164.71 34.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 84' ' ' ALA . 2.7 mp -118.11 139.1 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 73' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.797 HD22 ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -54.05 -27.07 30.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.688 ' N ' HD13 ' A' ' 73' ' ' LEU . 2.9 t70 -45.59 -26.34 0.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' LEU . 2.0 m-20 -87.93 -59.83 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.704 HG21 HD11 ' A' ' 44' ' ' LEU . 85.6 t -42.81 152.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.35 66.81 2.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CE2' ' HE3' ' A' ' 81' ' ' LYS . 2.0 m-30 -56.31 134.08 53.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -138.63 144.33 39.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 37.58 54.95 1.73 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.595 1.184 . . . . 0.0 110.974 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.931 ' NZ ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -122.89 171.14 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 0.813 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.2 pp -109.98 134.01 52.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.931 HG13 ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -132.61 119.81 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.862 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . . . -101.89 114.02 27.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.678 ' CD2' ' O ' ' A' ' 117' ' ' VAL . 1.2 p90 -100.9 133.2 45.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.66 ' HB2' ' CZ2' ' A' ' 159' ' ' TRP . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 78' ' ' PHE . 8.2 mm . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 m -40.8 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.74 -42.14 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -58.45 -48.8 79.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.224 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -44.28 -54.6 6.23 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.48 1.113 . . . . 0.0 111.07 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.15 -120.64 0.92 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.38 146.63 32.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 0.721 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -123.77 144.84 49.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.367 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.678 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 4.5 m -124.03 162.49 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.62 ' HA3' ' CZ ' ' A' ' 85' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 158' ' ' SER . 75.5 m-20 . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -69.82 -56.72 6.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.522 HD13 HG23 ' A' ' 21' ' ' ILE . 1.0 OUTLIER -66.3 -39.51 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 0.0 OUTLIER -67.62 -31.23 71.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 154' ' ' ASP . 3.1 m -67.77 -73.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.771 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 20.0 t90 -42.64 -55.24 3.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 108.022 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.869 HG13 ' HZ1' ' A' ' 164' ' ' LYS . 40.9 t -50.64 -53.71 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.53 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -53.29 -30.72 40.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.33 -48.29 35.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.771 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -59.1 -56.53 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.869 ' HZ1' HG13 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -62.55 -30.99 71.71 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.526 1.142 . . . . 0.0 109.229 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.4 t -58.84 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.45 ' HB3' HG11 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -45.07 -57.84 3.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.862 ' CE2' ' HB2' ' A' ' 84' ' ' ALA . 22.5 m-30 -55.57 -21.23 16.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.064 . . . . 0.0 111.03 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.706 ' O ' ' C ' ' A' ' 3' ' ' LYS . 6.7 tttt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.892 ' HA ' HG12 ' A' ' 30' ' ' VAL . 1.9 tptm 6.02 75.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.645 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -76.98 137.58 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.656 ' CA ' HD23 ' A' ' 50' ' ' LEU . . . -131.12 179.72 16.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.971 HD12 ' O ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -139.13 117.27 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.336 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.824 ' CE2' HD23 ' A' ' 44' ' ' LEU . 8.5 m-85 -122.89 122.84 39.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.737 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -126.95 150.57 49.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.899 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.6 p -55.08 -31.87 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -63.64 -27.3 69.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -38.64 62.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.848 HG22 ' OE1' ' A' ' 25' ' ' GLU . 2.7 mp -69.69 -56.65 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.899 HG22 ' O ' ' A' ' 18' ' ' VAL . 5.5 tp -57.3 -34.65 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.629 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.58 -53.21 59.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.379 1.049 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.27 -38.47 65.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.974 ' HB3' HG21 ' A' ' 160' ' ' VAL . 16.4 mt-10 -62.45 -50.22 72.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.263 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.645 ' CE1' HD13 ' A' ' 4' ' ' ILE . 2.2 m-85 -57.46 -52.65 64.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . 98.92 -81.96 0.58 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.441 1.088 . . . . 0.0 111.067 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.854 ' HB3' HG22 ' A' ' 30' ' ' VAL . 7.8 m-20 -39.3 157.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.62 -17.04 30.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.892 HG12 ' HA ' ' A' ' 3' ' ' LYS . 2.8 m -47.92 100.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.714 ' O ' HG12 ' A' ' 31' ' ' VAL . 3.0 t -155.31 81.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.971 ' O ' HD12 ' A' ' 6' ' ' LEU . 2.9 p -111.71 156.56 21.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.784 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -158.97 164.0 35.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.097 . . . . 0.0 109.229 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.737 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -64.76 -11.48 37.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.587 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.784 ' HB2' HD13 ' A' ' 33' ' ' LEU . 33.7 t0 -38.55 -31.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.364 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 33' ' ' LEU . 5.9 m -80.7 54.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -68.11 -8.29 36.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.941 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -8.11 50.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.419 1.075 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.7 -171.59 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.373 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -106.24 -169.2 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.921 HG11 ' HB3' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -71.01 -10.87 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -55.57 -27.83 51.44 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.421 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -68.27 -54.19 19.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.824 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.9 pp -66.94 -23.43 65.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.41 ' HB2' HG23 ' A' ' 76' ' ' VAL . 43.9 t30 -74.94 -31.23 61.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.475 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -63.13 -39.89 96.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.26 144.73 29.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.62 1.2 . . . . 0.0 111.063 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.49 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -107.67 37.42 2.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.607 1.192 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB3' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -155.23 114.16 3.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.656 HD23 ' CA ' ' A' ' 5' ' ' GLY . 34.6 mt -149.43 165.39 32.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.726 HG21 ' HH2' ' A' ' 159' ' ' TRP . 2.7 mp -118.97 142.79 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.435 HG13 HG13 ' A' ' 83' ' ' VAL . 2.0 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.644 HD12 HG21 ' A' ' 109' ' ' ILE . 1.8 pt? -58.01 -26.22 62.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -45.4 -25.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.921 ' HB3' HG11 ' A' ' 41' ' ' VAL . 1.0 OUTLIER -91.05 -61.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.23 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.814 ' HB ' HD11 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -44.78 168.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.401 1.063 . . . . 0.0 109.257 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -123.53 66.53 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.753 ' CE1' HG11 ' A' ' 76' ' ' VAL . 4.4 m-30 -61.41 106.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 111.059 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -134.6 66.85 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.1 44.01 0.12 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.566 ' HD2' ' CG ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -134.36 166.97 21.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.06 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -95.55 136.4 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 2.9 t -137.01 128.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.829 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.69 114.07 27.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -97.1 115.79 28.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.429 1.081 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.2 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.66 HD12 ' HB2' ' A' ' 78' ' ' PHE . 35.6 mm . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.453 ' CA ' ' OG1' ' A' ' 116' ' ' THR . 3.1 m -41.39 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.6 -45.43 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -59.05 -17.12 22.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -106.47 39.94 2.68 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.548 1.155 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 106.12 -112.14 3.81 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -126.69 147.69 49.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.453 ' OG1' ' CA ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -130.12 133.93 46.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.102 . . . . 0.0 110.368 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.829 HG22 ' HA ' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -102.06 146.09 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 23.7 ttt-85 -75.74 -56.65 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.692 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.4 OUTLIER -51.35 -53.45 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.552 ' NZ ' ' HB2' ' A' ' 161' ' ' ALA . 0.0 OUTLIER -58.6 -30.34 67.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -67.82 -63.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.953 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.915 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 21.2 t90 -42.14 -56.74 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.974 HG21 ' HB3' ' A' ' 25' ' ' GLU . 25.6 t -51.67 -51.92 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.552 ' HB2' ' NZ ' ' A' ' 157' ' ' LYS . . . -52.22 -31.96 34.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -71.95 -49.4 37.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 110.331 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.915 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -59.74 -54.76 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -61.2 -36.44 79.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.7 OUTLIER -51.85 -62.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.906 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 167' ' ' PHE . 7.9 tp10 -67.88 -56.95 7.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 1.06 ' CE1' HD13 ' A' ' 82' ' ' LEU . 11.4 m-30 -37.64 -46.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.568 1.167 . . . . 0.0 110.931 -179.873 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.24 36.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.741 ' CG2' HD11 ' A' ' 51' ' ' ILE . 3.3 mp -73.37 154.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.222 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.819 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -143.03 169.94 25.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.614 ' H ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -134.07 116.41 15.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.039 ' CD2' HD23 ' A' ' 44' ' ' LEU . 4.9 m-85 -118.04 119.1 33.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.572 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 1.4 p90 -124.99 179.87 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.106 0 O-C-N 124.488 1.117 . . . . 0.0 110.962 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.462 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 16.3 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 22' ' ' ILE . 6.4 t -57.73 -41.36 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.25 -38.14 50.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -31.61 66.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.586 1.179 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.161 ' CG2' HD13 ' A' ' 156' ' ' ILE . 1.9 mp -68.87 -56.32 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.876 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 6.1 tp -55.54 -38.02 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.07 -53.84 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.31 -20.63 65.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.813 ' OE2' ' CE ' ' A' ' 157' ' ' LYS . 5.2 mm-40 -76.69 -49.8 15.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.948 ' CE1' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -64.24 -10.33 22.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . 42.82 83.11 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.712 ' HB3' HG12 ' A' ' 30' ' ' VAL . 5.5 m-20 155.88 -174.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.584 0.814 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 31' ' ' VAL . 1.3 m-20 -82.56 -20.93 35.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.712 HG12 ' HB3' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -47.34 97.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 30' ' ' VAL . 71.8 t -158.27 80.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.602 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 29.1 p -119.71 98.83 6.3 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.411 1.069 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.983 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -105.99 156.53 18.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.572 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -45.31 -26.04 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.532 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.983 ' HB2' HD13 ' A' ' 33' ' ' LEU . 3.7 t70 -38.19 -31.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.7 p -76.67 56.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.1 t -74.05 -2.74 25.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.983 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.16 -5.5 32.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.591 1.182 . . . . 0.0 110.204 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.505 ' HB3' ' CG ' ' A' ' 43' ' ' ASP . . . -136.93 138.1 40.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -169.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 29.0 m -64.61 -12.33 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.8 p -59.07 -27.58 65.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.457 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.562 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -57.81 -53.71 55.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.039 HD23 ' CD2' ' A' ' 7' ' ' PHE . 3.6 pp -73.69 -23.08 59.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.614 ' N ' HD12 ' A' ' 44' ' ' LEU . 60.2 t30 -66.26 -30.7 71.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.414 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 11.9 m-20 -67.93 -36.89 80.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -96.34 130.34 43.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 111.016 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -90.25 29.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.603 1.189 . . . . 0.0 110.294 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.836 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -147.26 112.83 5.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 49' ' ' TYR . 4.3 mm? -134.53 161.26 35.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.595 1.184 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.819 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.9 mp -128.89 148.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.884 HD11 ' CE1' ' A' ' 85' ' ' TYR . 1.6 pt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -54.15 -27.27 32.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.837 ' N ' HD13 ' A' ' 73' ' ' LEU . 3.2 t70 -49.45 -23.82 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 73' ' ' LEU . 1.0 OUTLIER -90.39 -55.47 3.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.56 HG21 HD11 ' A' ' 44' ' ' LEU . 89.2 t -40.38 139.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.35 57.18 1.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CD2' HD23 ' A' ' 73' ' ' LEU . 1.2 m-85 -55.68 110.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 111.031 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -65.26 -153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.08 58.54 0.23 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 79' ' ' ASN . 2.0 mttt -93.85 172.01 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -94.9 131.47 40.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 2.8 t -132.97 148.07 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 1.025 ' HA ' HG12 ' A' ' 117' ' ' VAL . . . -115.38 136.47 53.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.884 ' CE1' HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -117.15 112.44 20.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.071 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.538 ' HD2' ' CE2' ' A' ' 159' ' ' TRP . 5.4 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.471 HG23 ' HA3' ' A' ' 113' ' ' GLY . 20.7 mm . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.688 ' O ' HG23 ' A' ' 116' ' ' THR . 73.5 m -35.14 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.23 -30.99 13.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.35 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.29 19.67 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.226 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.471 ' HA3' HG23 ' A' ' 109' ' ' ILE . . . -130.79 7.31 5.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.28 -119.84 4.51 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -113.08 158.74 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 0.713 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 110' ' ' SER . 1.4 p -133.69 133.51 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 1.025 HG12 ' HA ' ' A' ' 84' ' ' ALA . 4.7 p -100.09 148.89 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . 0.466 ' HB3' ' CG ' ' A' ' 157' ' ' LYS . 14.3 m-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -75.9 -56.24 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 1.161 HD13 ' CG2' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -54.56 -32.3 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 109.246 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.813 ' CE ' ' OE2' ' A' ' 25' ' ' GLU . 9.8 mtpt -67.68 -39.79 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.3 p -69.31 -46.98 65.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 110.047 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.785 ' CH2' HG21 ' A' ' 51' ' ' ILE . 18.8 t90 -60.19 -63.63 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.876 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 50.6 t -50.84 -32.42 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.385 1.053 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -70.71 -31.61 68.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -73.53 -55.85 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.825 ' HA ' HG21 ' A' ' 117' ' ' VAL . 0.1 OUTLIER -58.14 -53.9 52.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.948 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -58.77 -38.94 79.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.0 OUTLIER -52.85 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.77 ' HG3' HG23 ' A' ' 117' ' ' VAL . 5.8 mt-10 -48.29 -59.72 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.356 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.798 ' CE1' HD13 ' A' ' 82' ' ' LEU . 17.4 m-30 -47.28 -23.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.909 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.865 ' HA ' HG12 ' A' ' 30' ' ' VAL . 8.9 tttt -174.8 66.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.443 HG21 ' CE1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -73.91 146.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.335 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.638 ' CA ' HD23 ' A' ' 50' ' ' LEU . . . -138.45 -179.14 16.88 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -140.65 115.9 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.946 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.5 m-85 -127.45 118.88 24.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.742 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -120.22 179.95 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.947 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 m . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.7 ' O ' HG22 ' A' ' 22' ' ' ILE . 85.5 t -62.0 -31.78 52.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.66 -27.11 10.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 109.235 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.9 -42.22 40.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.093 . . . . 0.0 110.276 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.609 ' N ' HD12 ' A' ' 21' ' ' ILE . 1.7 mp -65.19 -53.33 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.7 HG22 ' O ' ' A' ' 18' ' ' VAL . 4.4 tp -59.89 -40.74 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.53 -54.27 48.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.587 1.179 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -22.17 66.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.783 ' HB3' HG21 ' A' ' 160' ' ' VAL . 4.3 mm-40 -77.77 -50.06 13.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.731 ' CZ ' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -60.12 -13.76 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.9 -172.21 15.72 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.545 ' CB ' HG22 ' A' ' 30' ' ' VAL . 2.4 m120 47.24 -172.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.09 -6.52 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.865 HG12 ' HA ' ' A' ' 3' ' ' LYS . 1.3 m -52.48 99.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 30' ' ' VAL . 66.6 t -156.46 83.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.546 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 36.7 p -115.96 99.92 7.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.98 HD13 ' CB ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -102.09 166.48 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.742 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -69.32 -8.59 47.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.98 ' CB ' HD13 ' A' ' 33' ' ' LEU . 8.3 t70 -39.75 -30.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' A' ' 34' ' ' HIS . 10.6 m -86.15 52.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.3 t -64.76 -11.25 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.023 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -5.48 32.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.95 -171.6 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.386 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -101.46 -174.76 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.47 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 3.7 m -78.58 -12.18 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 t -58.5 -28.09 65.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.408 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.545 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -58.41 -52.35 65.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.039 HD12 ' N ' ' A' ' 45' ' ' ASN . 3.7 pp -74.06 -45.43 49.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 1.039 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -46.44 -29.66 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.265 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 98.2 m-20 -65.94 -45.46 81.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.633 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.13 145.85 26.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.426 1.079 . . . . 0.0 110.99 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.676 ' N ' HE21 ' A' ' 48' ' ' GLN . 0.0 OUTLIER -108.27 28.28 8.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.225 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.617 ' CE1' ' HG2' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -138.34 111.99 8.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.78 HD22 ' CD1' ' A' ' 7' ' ' PHE . 13.6 mt -148.68 165.9 29.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 109.394 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.779 HG12 ' HB3' ' A' ' 84' ' ' ALA . 2.8 mp -122.0 145.69 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.459 ' HA ' HG12 ' A' ' 76' ' ' VAL . 1.7 pt? -53.4 -26.43 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -45.41 -25.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.467 ' CB ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -95.08 -53.78 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.783 HG11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -47.88 174.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.373 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.06 70.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.783 ' CE1' HG11 ' A' ' 76' ' ' VAL . 5.4 m-30 -65.21 122.28 16.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -140.89 79.25 1.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.411 ' HA2' ' N ' ' A' ' 114' ' ' GLY . . . 108.46 59.38 0.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.411 1.069 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.69 ' CD ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.58 172.82 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.9 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -101.4 135.08 43.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.69 HG23 ' CD ' ' A' ' 81' ' ' LYS . 3.5 t -136.85 132.96 48.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.779 ' HB3' HG12 ' A' ' 51' ' ' ILE . . . -101.78 147.63 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -115.65 119.77 37.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.542 ' HA ' ' CZ2' ' A' ' 159' ' ' TRP . 76.8 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.972 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.664 HG22 ' HE2' ' A' ' 81' ' ' LYS . 1.8 mp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.489 ' CB ' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER -53.21 -57.06 11.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.014 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -81.16 -2.52 48.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 110.245 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.433 ' CB ' ' HA ' ' A' ' 109' ' ' ILE . 1.1 ttt85 -75.2 -48.85 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.19 126.51 0.95 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.362 1.039 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 128.22 -144.98 15.7 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.16 146.5 45.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.608 0.828 . . . . 0.0 109.286 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.489 HG21 ' CB ' ' A' ' 110' ' ' SER . 12.5 p -120.54 122.51 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.683 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 9.3 p -100.05 129.68 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . 0.426 ' HB3' ' CG ' ' A' ' 157' ' ' LYS . 28.0 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -50.13 27.61 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.618 1.199 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.666 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.84 -40.93 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 4.4 mttm -56.58 -32.09 64.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 159' ' ' TRP . 0.5 OUTLIER -76.84 -71.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.85 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 27.9 t90 -42.16 -56.7 2.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 108.031 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 25' ' ' GLU . 85.4 t -50.46 -52.1 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -54.03 -31.34 51.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.403 ' O ' HG21 ' A' ' 117' ' ' VAL . 51.0 tp60 -72.76 -47.97 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.85 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.7 OUTLIER -59.23 -54.67 44.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.44 ' NZ ' ' HA ' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -63.97 -34.33 77.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.37 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.9 OUTLIER -53.03 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.454 ' HB2' HG23 ' A' ' 117' ' ' VAL . 15.4 tp10 -52.62 -59.14 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 0.0 110.25 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.9 ' CE1' HD13 ' A' ' 82' ' ' LEU . 15.1 m-30 -46.56 -23.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.862 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -173.07 65.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.581 HG22 HD11 ' A' ' 51' ' ' ILE . 1.1 mp -73.86 152.82 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.573 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -143.76 178.85 21.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -135.56 115.79 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 0.776 . . . . 0.0 109.231 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.695 ' CD1' HD13 ' A' ' 50' ' ' LEU . 6.7 m-85 -124.06 113.58 18.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.59 ' OH ' ' CE1' ' A' ' 34' ' ' HIS . 0.6 OUTLIER -122.75 179.93 4.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 111.089 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.558 1.162 . . . . 0.0 110.951 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.469 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -31.82 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . . . -53.62 -50.03 66.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 109.233 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.34 -30.28 71.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -65.09 -56.26 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.157 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 7.1 tp -54.46 -44.43 67.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.163 . . . . 0.0 109.388 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.857 HH21 HD21 ' A' ' 33' ' ' LEU . 74.7 mtt180 -52.81 -50.52 63.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -56.44 -38.55 71.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.609 ' CB ' HG11 ' A' ' 160' ' ' VAL . 33.4 mm-40 -63.36 -50.06 71.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 1.194 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 2.1 m-85 -62.42 -44.84 95.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . 86.87 -167.48 38.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.557 1.161 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.523 ' CB ' HG22 ' A' ' 30' ' ' VAL . 7.5 m-20 46.86 -171.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 0.723 . . . . 0.0 109.24 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.547 ' O ' HG22 ' A' ' 31' ' ' VAL . 19.2 m-20 -90.38 -6.52 54.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.862 HG12 ' HA ' ' A' ' 3' ' ' LYS . 3.3 m -65.23 99.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 29' ' ' ASP . 20.9 m -156.27 81.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.573 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 34.9 p -118.2 100.14 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.355 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.887 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -107.29 161.22 14.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.59 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -51.25 -21.82 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.691 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.641 ' HB2' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.22 -30.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.541 1.151 . . . . 0.0 109.23 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.887 HG22 ' O ' ' A' ' 33' ' ' LEU . 10.9 m -78.37 55.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.0 t -74.13 -3.03 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.052 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -14.08 62.17 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.54 -171.64 1.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -104.82 173.31 6.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.236 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.784 HG11 ' HB2' ' A' ' 75' ' ' ASP . 7.5 m -53.73 -20.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.404 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 t -53.64 -30.25 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.599 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -49.49 -49.24 46.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.952 HD12 ' CE1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -76.26 -38.94 55.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -46.16 -29.14 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.503 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 99.4 m-20 -78.12 -45.94 22.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.63 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -95.17 120.73 35.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.719 ' N ' HE21 ' A' ' 48' ' ' GLN . 0.0 OUTLIER -93.95 36.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.626 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -145.37 113.05 6.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.889 ' C ' HD13 ' A' ' 51' ' ' ILE . 69.1 mt -150.74 164.26 36.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.056 HG21 HD13 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -118.13 159.51 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 7' ' ' PHE . 1.4 pt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 109.31 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.802 HD22 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -53.95 -26.32 24.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.802 ' N ' HD22 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -45.58 -26.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.784 ' HB2' HG11 ' A' ' 41' ' ' VAL . 4.1 m-20 -99.62 -33.87 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.743 HG21 HD11 ' A' ' 44' ' ' LEU . 12.1 t -75.24 138.14 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.414 1.071 . . . . 0.0 109.348 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.03 51.16 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.952 ' CE1' HD12 ' A' ' 44' ' ' LEU . 1.1 m-30 -50.69 97.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.617 ' HA ' ' HA2' ' A' ' 113' ' ' GLY . 1.7 m-80 -133.82 60.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.421 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . 137.04 58.46 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.621 ' HG3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -142.04 168.37 19.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.364 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.2 OUTLIER -97.99 129.11 44.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.518 HG23 HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER -137.29 130.59 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 1.112 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -101.56 142.04 33.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 0.1 OUTLIER -121.58 144.82 48.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 1.146 ' CD2' ' CD1' ' A' ' 159' ' ' TRP . 5.8 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 78' ' ' PHE . 4.2 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.671 ' O ' HG23 ' A' ' 116' ' ' THR . 4.5 m -39.43 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.944 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -93.32 -44.18 8.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -29.1 66.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.617 ' HA2' ' HA ' ' A' ' 79' ' ' ASN . . . -83.29 45.81 3.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.621 1.201 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.421 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 82.61 -112.48 3.52 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.46 146.61 51.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -117.81 122.03 42.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 110.401 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.917 HG21 ' HB3' ' A' ' 166' ' ' GLU . 5.1 p -103.62 176.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 117' ' ' VAL . . . . . . . . 0 CA--C 1.529 0.929 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -75.82 -45.79 34.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.392 1.057 . . . . 0.0 110.26 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.46 -41.99 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.593 ' HE3' ' OE1' ' A' ' 25' ' ' GLU . 12.5 mttp -68.45 -30.65 69.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.222 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -55.73 10.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.423 1.077 . . . . 0.0 109.952 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 1.146 ' CD1' ' CD2' ' A' ' 86' ' ' PHE . 38.9 t90 -63.26 -53.7 48.76 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 1.157 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 51.7 t -50.67 -50.01 23.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 157' ' ' LYS . . . -63.57 -31.42 72.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.62 -56.42 22.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.33 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 1.056 HD13 HG21 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -74.35 -54.68 7.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 1.194 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 21.1 mmmt -44.34 -59.49 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 39.9 m -55.28 -46.67 76.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.917 ' HB3' HG21 ' A' ' 117' ' ' VAL . 0.4 OUTLIER -54.93 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 1.364 ' CE1' HD13 ' A' ' 82' ' ' LEU . 15.2 m-85 -40.42 -31.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.394 1.059 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttp . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.784 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -176.29 66.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.961 HD13 ' CE1' ' A' ' 26' ' ' PHE . 1.7 mp -73.61 150.07 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.672 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -139.5 -178.18 16.35 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.542 1.151 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.702 HD12 HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -138.63 116.43 11.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 1.095 ' CE2' HD23 ' A' ' 44' ' ' LEU . 39.9 m-85 -132.48 118.59 19.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -129.85 179.93 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.507 ' O ' HD12 ' A' ' 21' ' ' ILE . 4.4 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.885 ' O ' HG22 ' A' ' 22' ' ' ILE . 29.3 m -55.15 -47.78 76.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 109.382 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 23' ' ' ARG . . . -51.64 -28.1 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.29 -38.44 60.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.781 HG21 HG21 ' A' ' 156' ' ' ILE . 3.1 mp -71.13 -55.72 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.226 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.919 ' CD1' HG22 ' A' ' 160' ' ' VAL . 1.4 tp -58.61 -33.33 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.628 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -69.19 -56.92 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.067 . . . . 0.0 110.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 23' ' ' ARG . 4.5 t0 -70.02 -16.98 63.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.78 ' HG3' HG11 ' A' ' 160' ' ' VAL . 16.3 tp10 -79.5 -49.86 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.961 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -46.79 -23.18 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 111.006 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.09 -45.58 1.55 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.388 1.055 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.736 ' HB3' HG22 ' A' ' 30' ' ' VAL . 5.5 t-20 -95.49 -153.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.374 0.691 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.643 ' O ' HG12 ' A' ' 31' ' ' VAL . 79.0 m-20 -110.98 2.47 18.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' A' ' 3' ' ' LYS . 1.8 m -62.47 99.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -156.92 89.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.605 1.191 . . . . 0.0 109.31 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.556 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 40.6 p -121.29 99.88 6.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.067 . . . . 0.0 110.42 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.971 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -111.55 165.96 11.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.376 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.606 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -56.28 -20.96 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.681 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.971 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.6 t70 -39.12 -30.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 33' ' ' LEU . 15.1 m -85.03 49.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 t -58.13 -15.99 11.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -71.0 -5.63 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.42 -171.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -108.82 170.24 8.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 2.8 p -65.4 -11.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.477 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 4.9 p -57.43 -27.59 62.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.602 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -50.96 -53.8 29.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.095 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.1 pp -77.14 -34.76 56.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.225 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.911 ' N ' HD12 ' A' ' 44' ' ' LEU . 57.9 t30 -47.45 -31.06 3.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -40.33 15.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.634 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -96.12 111.94 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.606 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.5 pt20 -86.58 40.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.606 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -147.85 113.02 5.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.032 ' C ' HD13 ' A' ' 51' ' ' ILE . 2.8 mt -146.65 165.23 30.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.032 HD13 ' C ' ' A' ' 50' ' ' LEU . 1.2 mm -117.02 159.51 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.406 1.066 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.805 HD12 ' CD1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.936 ' CD1' HG21 ' A' ' 109' ' ' ILE . 2.6 pp -53.54 -27.11 24.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.402 ' HA ' HD13 ' A' ' 109' ' ' ILE . 6.8 t70 -69.29 -21.53 63.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -77.93 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.061 . . . . 0.0 109.28 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.531 HG21 ' CD1' ' A' ' 44' ' ' LEU . 3.3 m -62.98 141.15 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.8 57.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.43 ' CZ ' HD13 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -58.85 127.23 31.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 111.091 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.2 m-80 -139.56 155.38 47.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 36.72 32.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.579 ' HZ3' ' N ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -93.58 170.62 9.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 0.718 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.954 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -110.68 129.66 55.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.579 ' N ' ' HZ3' ' A' ' 81' ' ' LYS . 1.4 t -135.2 123.56 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.892 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.05 138.94 38.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.805 ' CD1' HD12 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -113.92 145.19 41.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.731 ' CD1' ' CD1' ' A' ' 159' ' ' TRP . 6.8 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.927 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.936 HG21 ' CD1' ' A' ' 73' ' ' LEU . 1.9 mp . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.53 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.41 -42.09 9.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' GLY . 11.3 ttp180 -58.56 -48.16 81.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -36.9 -55.42 1.41 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.92 -118.0 0.74 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -104.85 146.43 29.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -125.85 125.98 43.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.845 HG22 ' HA ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -96.73 144.41 10.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.369 1.043 . . . . 0.0 111.013 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . 0.462 ' HB2' ' CD ' ' A' ' 157' ' ' LYS . 3.4 p-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.4 ttp-105 -75.88 -56.63 4.49 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.781 HG21 HG21 ' A' ' 21' ' ' ILE . 1.7 pp -59.17 -42.86 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.664 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 3.8 pttt -62.71 -31.8 72.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.07 -56.86 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.771 ' CZ2' HG21 ' A' ' 51' ' ' ILE . 51.7 t90 -55.96 -59.37 5.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 108.038 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.919 HG22 ' CD1' ' A' ' 22' ' ' ILE . 54.1 t -51.21 -35.46 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -69.08 -31.65 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 166' ' ' GLU . 24.4 tt0 -69.04 -35.99 77.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.743 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.2 OUTLIER -76.32 -53.67 7.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.572 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -58.08 -41.03 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 33.3 m -62.19 -67.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.469 ' CG ' ' HB ' ' A' ' 117' ' ' VAL . 3.8 mm-40 -45.11 -55.95 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 0.954 ' CE1' HD13 ' A' ' 82' ' ' LEU . 22.2 m-30 -60.81 -23.07 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 165' ' ' SER . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.707 ' O ' ' C ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.707 ' C ' ' O ' ' A' ' 2' ' ' LYS . 12.5 ttmt 4.88 75.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.74 HD13 ' CE1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -74.18 146.42 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.933 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -145.75 -172.55 16.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.982 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.95 130.02 15.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 0.804 . . . . 0.0 109.251 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.941 ' CE2' HD23 ' A' ' 44' ' ' LEU . 11.2 m-85 -130.33 123.49 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -123.89 179.91 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.088 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.564 ' O ' HD12 ' A' ' 21' ' ' ILE . 2.5 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 22' ' ' ILE . 29.2 m -55.34 -36.31 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -65.35 -27.5 68.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.93 -45.75 56.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.692 ' CG2' HD13 ' A' ' 156' ' ' ILE . 3.5 mp -59.84 -53.54 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 23' ' ' ARG . 2.2 tp -54.68 -54.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.492 ' C ' ' CD ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -49.74 -49.92 46.32 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.419 1.075 . . . . 0.0 110.299 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -64.6 -25.59 68.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 1.123 ' HB3' HG21 ' A' ' 160' ' ' VAL . 4.5 mm-40 -77.01 -50.06 13.98 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.74 ' CE1' HD13 ' A' ' 4' ' ' ILE . 1.1 m-85 -52.36 -20.22 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 -77.65 1.27 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.36 1.037 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.755 ' CB ' HG22 ' A' ' 30' ' ' VAL . 4.2 m-80 -43.58 165.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.574 ' O ' HG12 ' A' ' 31' ' ' VAL . 2.6 m-20 -75.61 -2.98 31.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.755 HG22 ' CB ' ' A' ' 28' ' ' ASN . 3.5 m -63.99 100.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -155.0 88.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.569 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 66.8 p -117.73 116.57 27.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.9 HD13 ' CB ' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -112.52 156.77 22.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.411 1.069 . . . . 0.0 109.328 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.522 ' HB3' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -79.51 2.99 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.632 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.9 ' CB ' HD13 ' A' ' 33' ' ' LEU . 25.2 t70 -36.93 -33.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' HIS . 22.4 m -85.41 48.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.7 p -50.42 -20.77 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.907 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -6.14 31.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 110.371 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.16 -171.34 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' HB3' HG22 ' A' ' 42' ' ' THR . 1.0 OUTLIER -103.71 159.69 15.41 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 110.231 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.554 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 2.5 m -65.46 -11.67 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.195 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.464 HG22 ' HB3' ' A' ' 40' ' ' GLU . 5.8 t -53.59 -26.98 24.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.388 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -66.61 -53.61 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.941 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.7 pp -69.83 -23.23 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.537 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -75.66 -30.21 59.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 20.6 m-20 -67.1 -39.47 86.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.639 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.18 143.35 31.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -108.19 39.77 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -154.7 111.56 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.583 HD22 ' CD1' ' A' ' 7' ' ' PHE . 14.4 mt -147.78 165.54 30.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.933 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.3 mp -129.87 160.43 40.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.613 1.196 . . . . 0.0 109.311 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.663 HD11 HD21 ' A' ' 73' ' ' LEU . 5.9 mm . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.059 HD12 HD13 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -51.31 -25.73 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.541 ' HA ' HD12 ' A' ' 109' ' ' ILE . 0.4 OUTLIER -61.55 -20.33 63.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 76' ' ' VAL . 5.5 m-20 -78.39 -65.34 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.717 HG21 ' CE1' ' A' ' 78' ' ' PHE . 10.5 m -44.14 166.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -101.79 52.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.358 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.717 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.8 m-85 -47.54 131.52 14.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' GLY . 1.3 m-80 -139.61 150.13 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 79' ' ' ASN . . . 37.04 46.11 1.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.82 ' HZ3' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.08 172.69 7.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.722 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.068 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.1 pp -114.88 133.76 55.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.82 HG22 ' HZ3' ' A' ' 81' ' ' LYS . 9.5 m -134.85 121.58 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.11 161.2 13.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.67 125.34 41.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 1.059 HD13 HD12 ' A' ' 73' ' ' LEU . 54.3 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.0 m -40.23 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.34 -48.09 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.9 mmm-85 -58.78 -21.4 55.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.478 ' O ' ' HE3' ' A' ' 81' ' ' LYS . . . -94.67 -25.96 14.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.407 1.067 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.37 -126.15 1.57 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.82 146.52 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 12.6 t -130.41 133.11 46.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.415 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.712 HG11 ' CB ' ' A' ' 166' ' ' GLU . 9.3 m -120.74 141.39 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.568 1.167 . . . . 0.0 110.975 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . 0.465 ' HB3' ' CD ' ' A' ' 157' ' ' LYS . 6.2 m-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.13 -32.09 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.24 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.86 HD12 ' HG2' ' A' ' 25' ' ' GLU . 8.7 pt -72.05 -39.66 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.465 ' CD ' ' HB3' ' A' ' 154' ' ' ASP . 0.0 OUTLIER -60.48 -35.58 76.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.128 . . . . 0.0 109.355 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 33.3 t -73.38 -65.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.842 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 47.4 t90 -43.49 -53.01 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 1.123 HG21 ' HB3' ' A' ' 25' ' ' GLU . 65.9 t -51.57 -51.84 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.19 -31.98 61.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.43 68.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.842 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -63.25 -53.87 46.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.451 ' NZ ' ' HA ' ' A' ' 164' ' ' LYS . 0.1 OUTLIER -62.05 -29.45 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.241 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -63.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.045 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.712 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -67.83 -55.84 11.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 1.068 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.1 m-30 -37.11 -54.59 0.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.547 1.155 . . . . 0.0 110.994 -179.908 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.493 ' C ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.598 ' HA ' HG12 ' A' ' 30' ' ' VAL . 3.0 ttmt -169.43 51.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -72.96 165.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.628 ' HA3' ' O ' ' A' ' 32' ' ' THR . . . -170.76 -153.09 8.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.718 HD13 HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -149.01 126.04 11.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.274 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.94 ' CE2' HD23 ' A' ' 44' ' ' LEU . 13.7 m-85 -128.25 112.51 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.596 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -146.6 110.07 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 8.0 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 22' ' ' ILE . 9.0 p -55.07 -39.65 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.539 ' HB1' HD22 ' A' ' 33' ' ' LEU . . . -56.28 -40.72 74.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -37.85 87.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 17' ' ' SER . 2.0 mp -63.33 -58.35 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.559 HG12 HD21 ' A' ' 6' ' ' LEU . 7.0 tp -53.98 -48.75 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.708 ' HG3' HD21 ' A' ' 33' ' ' LEU . 43.5 mtm180 -54.02 -41.97 68.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -30.06 63.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.97 ' HB3' HG21 ' A' ' 160' ' ' VAL . 3.4 mm-40 -66.87 -51.29 57.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.768 ' CE2' ' CE ' ' A' ' 164' ' ' LYS . 1.3 m-85 -44.62 -32.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.76 70.83 0.86 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 1.003 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.4 OUTLIER 171.55 162.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -62.47 -13.98 36.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.003 HG22 ' HB3' ' A' ' 28' ' ' ASN . 16.8 m -70.32 97.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 30' ' ' VAL . 17.2 m -157.22 80.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.628 ' O ' ' HA3' ' A' ' 5' ' ' GLY . 37.2 p -123.2 95.85 4.77 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.512 1.133 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.718 HD23 HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -113.84 174.22 6.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 35' ' ' ASP . 17.5 p-80 -38.24 -30.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.584 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.637 ' HB3' HD12 ' A' ' 33' ' ' LEU . 3.9 t70 -33.34 -39.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 33' ' ' LEU . 33.3 m -80.85 52.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.0 p -73.2 -21.39 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.06 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -30.88 67.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HB1' ' OD1' ' A' ' 43' ' ' ASP . . . -91.47 131.69 36.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.432 ' HB2' HG22 ' A' ' 42' ' ' THR . 2.4 mt-10 -54.58 175.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.762 ' CG2' HD11 ' A' ' 44' ' ' LEU . 4.4 p -61.0 -13.83 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.432 HG22 ' HB2' ' A' ' 40' ' ' GLU . 6.4 t -55.37 -25.81 37.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.66 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -61.03 -55.9 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.94 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.1 pp -69.04 -28.22 66.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.773 ' N ' HD12 ' A' ' 44' ' ' LEU . 13.2 t30 -56.15 -40.49 73.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.587 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -75.83 -31.37 59.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.66 ' CD2' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -117.11 71.18 0.79 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.549 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.14 62.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.668 ' O ' HD23 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -158.27 105.37 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.872 HD13 ' CD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -158.47 165.36 34.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.788 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.4 mt -98.39 159.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' A' ' 85' ' ' TYR . 2.7 pp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.448 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.1 pp -51.94 -25.04 7.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.745 ' HA ' HD11 ' A' ' 109' ' ' ILE . 3.2 t0 -50.67 -21.11 1.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -76.87 -62.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.233 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.687 HG21 ' CE1' ' A' ' 78' ' ' PHE . 31.2 m -57.92 147.07 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 78' ' ' PHE . 6.9 m-20 -88.5 49.87 1.87 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.633 1.208 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.687 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.6 m-30 -35.92 113.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.11 128.68 30.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.418 ' CA ' ' HA3' ' A' ' 114' ' ' GLY . . . 67.63 9.35 55.44 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.768 ' CD ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -77.6 176.1 9.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.582 0.813 . . . . 0.0 109.261 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.205 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -112.9 131.92 55.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.768 HG13 ' CD ' ' A' ' 81' ' ' LYS . 12.1 m -138.99 129.11 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.788 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -98.86 157.25 16.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.539 ' CE1' HD11 ' A' ' 52' ' ' ILE . 4.6 m-85 -120.46 132.46 55.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.563 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' A' ' 74' ' ' ASP . 3.2 mp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 m -77.34 2.32 16.19 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.464 1.103 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -94.96 -63.16 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 113' ' ' GLY . 6.2 mtm105 -114.26 4.57 15.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.539 ' CA ' ' O ' ' A' ' 109' ' ' ILE . . . -26.54 -50.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.418 ' HA3' ' CA ' ' A' ' 80' ' ' GLY . . . 132.84 -101.73 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.46 145.35 39.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.793 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 2.0 t -143.76 136.53 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 167' ' ' PHE . 1.5 m -115.92 128.44 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.89 -48.83 15.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.354 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.893 ' O ' HG23 ' A' ' 160' ' ' VAL . 6.0 pt -51.45 -54.53 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' LYS . . . . . 0.47 ' HA ' ' OE2' ' A' ' 25' ' ' GLU . 3.0 pttt -54.52 -35.94 63.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.33 -64.75 0.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.499 ' CZ2' HG21 ' A' ' 51' ' ' ILE . 23.0 t90 -47.18 -55.11 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.97 HG21 ' HB3' ' A' ' 25' ' ' GLU . 47.0 t -49.51 -57.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -50.5 -29.04 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 166' ' ' GLU . 1.7 tt0 -70.06 -56.48 6.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.244 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.518 ' O ' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -61.35 -57.24 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' LYS . . . . . 0.768 ' CE ' ' CE2' ' A' ' 26' ' ' PHE . 1.4 mmpt? -49.0 -56.38 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 168' ' ' GLY . 40.3 t -54.86 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.034 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 165' ' ' SER . 0.5 OUTLIER -31.74 -59.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' PHE . . . . . 1.205 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.2 m-85 -49.2 -47.25 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 165' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.42 1.075 . . . . 0.0 111.056 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -45.67 131.62 8.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.745 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.8 OUTLIER -174.92 70.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.155 . . . . 0.0 109.389 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.837 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -80.49 148.53 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.372 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.671 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -137.13 168.95 24.17 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -130.09 116.47 18.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.392 0.701 . . . . 0.0 109.318 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.096 ' CD2' HD23 ' A' ' 44' ' ' LEU . 8.0 m-85 -125.72 125.03 42.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.718 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -128.85 179.85 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.27 33.38 2.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.506 HG22 ' N ' ' A' ' 11' ' ' GLN . 3.5 m -152.56 170.71 19.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 0.802 . . . . 0.0 110.328 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.506 ' N ' HG22 ' A' ' 10' ' ' THR . 0.0 OUTLIER -53.13 -172.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.574 1.171 . . . . 0.0 110.273 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.2 m -93.67 -96.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.432 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.8 -133.17 1.71 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.434 1.084 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -129.65 24.32 5.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 0.731 . . . . 0.0 109.343 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.473 HG21 ' HB ' ' A' ' 18' ' ' VAL . 1.2 m -105.09 154.89 19.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.43 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -90.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.1 m -132.37 74.62 1.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.952 ' O ' HG22 ' A' ' 22' ' ' ILE . 7.2 p -55.34 -38.31 47.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.87 -32.35 31.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -72.27 -47.37 50.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.031 HG23 HD13 ' A' ' 156' ' ' ILE . 1.7 mp -58.89 -56.36 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.952 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.3 tp -55.75 -36.76 44.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.543 ' NH1' ' OD1' ' A' ' 135' ' ' ASN . 0.4 OUTLIER -62.92 -44.69 95.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.35 -18.91 60.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.955 ' CB ' HG21 ' A' ' 160' ' ' VAL . 59.0 mm-40 -77.64 -49.74 13.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.837 ' CE1' HD13 ' A' ' 4' ' ' ILE . 2.3 m-85 -53.15 -19.05 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.44 1.088 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.35 -71.38 2.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.807 ' HB3' HG22 ' A' ' 30' ' ' VAL . 8.3 t-20 -59.54 -155.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.239 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -112.93 -7.74 13.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.807 HG22 ' HB3' ' A' ' 28' ' ' ASN . 0.5 OUTLIER -48.29 100.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.509 HG21 ' CG ' ' A' ' 23' ' ' ARG . 55.8 t -154.64 86.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.56 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 62.3 p -114.4 99.55 7.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.177 . . . . 0.0 110.401 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.73 HD13 ' CG ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -96.17 166.25 11.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.718 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -77.41 0.47 22.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.658 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.73 ' CG ' HD13 ' A' ' 33' ' ' LEU . 3.7 m-20 -38.79 -31.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' HIS . 13.8 p -86.35 47.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.2 t -54.31 -19.0 4.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 109.968 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -5.44 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.264 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.83 -171.52 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -101.8 161.85 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.177 . . . . 0.0 110.348 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.637 HG22 HD11 ' A' ' 44' ' ' LEU . 11.3 p -65.25 -11.86 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.177 . . . . 0.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.441 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 12.6 t -57.41 -26.99 61.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.555 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -55.09 -53.28 57.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.096 HD23 ' CD2' ' A' ' 7' ' ' PHE . 2.5 pp -75.89 -22.94 55.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.723 ' N ' HD12 ' A' ' 44' ' ' LEU . 58.8 t30 -64.07 -30.76 71.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.19 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 6.6 m-20 -70.16 -37.77 75.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.666 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.83 147.93 22.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.576 1.173 . . . . 0.0 111.008 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.471 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -107.87 36.28 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 110.252 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.804 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -154.66 113.61 3.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.9 mm? -139.75 164.01 31.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.812 HG21 ' HH2' ' A' ' 159' ' ' TRP . 2.7 mp -121.43 138.91 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.794 HD12 ' CZ ' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -119.73 165.58 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.197 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.82 -68.54 0.77 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 m -137.13 153.94 75.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.29 35.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.461 1.769 . . . . 0.0 111.014 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.3 p -76.52 171.96 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -112.6 80.6 1.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -143.14 96.32 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.363 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' A' ' 60' ' ' GLY . 17.8 mt -93.64 161.09 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' N ' ' CG2' ' A' ' 59' ' ' ILE . . . 156.83 142.9 3.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.475 ' O ' HD12 ' A' ' 62' ' ' LEU . 1.5 pt-20 -111.86 -3.18 14.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 0.79 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -166.15 -77.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 109.254 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -107.09 120.82 43.13 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 110.267 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.26 -58.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.67 117.57 9.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.6 m0 -99.24 -64.26 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 108.031 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.46 174.08 15.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 110.262 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.5 -175.4 14.5 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -147.3 68.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.645 0.85 . . . . 0.0 109.256 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.435 ' CG ' ' O ' ' A' ' 69' ' ' LEU . 0.7 OUTLIER 179.96 157.91 0.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.178 . . . . 0.0 111.023 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.5 m -126.95 83.62 2.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -104.34 163.48 12.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.972 HD13 ' CE2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -51.74 -27.26 11.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -61.89 -22.05 65.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.41 -51.48 5.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.86 HG21 HD11 ' A' ' 44' ' ' LEU . 86.3 t -40.41 153.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.613 1.196 . . . . 0.0 109.295 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -84.61 50.44 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.972 ' CE2' HD13 ' A' ' 73' ' ' LEU . 2.2 m-30 -51.92 139.45 22.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -137.14 128.29 27.82 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 37.68 70.54 0.26 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.507 1.129 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.852 ' CD ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -129.85 170.91 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.251 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -102.51 134.41 45.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.573 1.17 . . . . 0.0 109.296 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.852 HG23 ' CD ' ' A' ' 81' ' ' LYS . 7.0 t -135.29 114.68 16.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.733 ' O ' HG23 ' A' ' 51' ' ' ILE . . . -102.15 123.21 45.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.794 ' CZ ' HD12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -97.07 154.98 17.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -37.78 -45.59 0.84 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.527 1.142 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 118' ' ' GLY . . . 122.18 -122.72 5.18 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.486 1.116 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.9 p -119.32 173.91 6.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 0.736 . . . . 0.0 110.404 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -169.62 -61.03 0.04 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -179.94 79.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 0.729 . . . . 0.0 109.317 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -173.93 166.62 4.35 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.7 tp -146.46 124.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -132.42 81.32 0.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.495 ' O ' ' CD1' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -45.73 130.61 9.23 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.473 0.749 . . . . 0.0 111.063 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -172.52 145.61 1.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.67 125.48 21.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.361 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -40.99 -67.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -179.98 -47.38 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.94 91.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.77 145.15 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.97 104.99 12.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.1 tt -173.78 122.07 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.262 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 92.97 -179.01 39.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.419 1.075 . . . . 0.0 110.982 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.0 mp -96.72 134.68 33.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.89 -49.81 48.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -44.86 117.85 1.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -179.86 -50.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 112' ' ' ARG . 16.5 mtmt -150.69 166.87 29.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' A' ' 109' ' ' ILE . 1.0 OUTLIER -64.83 -47.11 89.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.746 ' HB2' HG21 ' A' ' 116' ' ' THR . 99.6 p -48.23 -45.71 34.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -86.1 -18.8 31.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.421 ' CB ' ' HA ' ' A' ' 109' ' ' ILE . 0.4 OUTLIER -58.98 -56.6 20.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.233 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . 178.21 111.81 0.31 Allowed Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 143.35 -163.13 27.54 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.67 150.39 51.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 0.805 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.746 HG21 ' HB2' ' A' ' 110' ' ' SER . 17.9 p -126.71 131.76 51.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.406 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.756 HG11 ' CB ' ' A' ' 166' ' ' GLU . 12.4 m -115.74 156.94 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.406 ' O ' ' HA2' ' A' ' 87' ' ' GLY . . . -172.51 -45.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -78.69 162.82 25.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.447 ' CE3' HG23 ' A' ' 122' ' ' THR . 2.3 p-90 -123.93 125.77 45.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 108.039 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.7 m -132.67 75.91 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 110.038 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.447 HG23 ' CE3' ' A' ' 120' ' ' TRP . 72.7 p -54.5 163.66 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.354 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -167.1 -46.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.267 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -150.41 121.69 1.29 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -124.92 28.23 6.51 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.567 0.804 . . . . 0.0 110.986 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -90.9 60.34 4.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.374 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -115.04 -55.59 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 65.7 95.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.7 p-10 -101.99 171.87 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.4 83.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.063 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -82.49 78.05 9.18 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.575 1.172 . . . . 0.0 109.322 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -54.8 110.4 0.64 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.6 tp -143.35 141.54 30.97 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.4 114.35 3.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.244 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.543 ' OD1' ' NH1' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -159.67 -66.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.181 . . . . 0.0 109.276 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 132.03 163.71 10.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.577 1.173 . . . . 0.0 110.999 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.16 123.03 22.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 0.73 . . . . 0.0 109.289 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -153.71 104.81 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 34.6 m -88.2 156.83 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 178.65 -169.47 41.01 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.71 178.32 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -171.85 126.72 0.59 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.1 tp -73.75 113.38 10.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -84.24 140.05 31.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -51.03 -52.32 44.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 110.362 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.8 148.72 0.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.385 1.053 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.8 -53.97 5.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -38.97 156.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.8 p -107.56 174.86 5.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.005 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.99 173.29 6.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.552 HD13 ' NH1' ' A' ' 155' ' ' ARG . 1.6 mp -72.13 176.09 5.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.223 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 5.9 t -50.69 175.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.616 1.197 . . . . 0.0 110.452 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.34 -29.39 20.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -91.73 20.8 5.23 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.552 ' NH1' HD13 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -64.27 -54.34 34.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.264 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 1.031 HD13 HG23 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -52.24 -45.03 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.501 ' HG2' ' CD ' ' A' ' 25' ' ' GLU . 15.5 mtpt -61.19 -30.96 70.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.24 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.48 -70.41 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 110.085 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.901 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 30.1 t90 -42.99 -52.3 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 108.076 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.955 HG21 ' CB ' ' A' ' 25' ' ' GLU . 45.4 t -51.62 -51.73 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.299 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.42 63.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -67.03 -48.18 69.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.901 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.4 OUTLIER -63.03 -53.6 51.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.472 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -59.02 -31.26 68.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -68.27 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.955 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.756 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.1 OUTLIER -60.66 -56.16 24.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 1.251 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.6 m-30 -37.41 -58.06 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 176.63 73.98 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.424 1.077 . . . . 0.0 111.016 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 169' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.465 0.744 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.508 ' HB3' HG11 ' A' ' 30' ' ' VAL . 5.0 mtpp -94.76 148.03 22.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.668 ' N ' HG12 ' A' ' 30' ' ' VAL . 10.0 tttp -174.93 55.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 109.372 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.609 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -73.21 135.59 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.201 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 1.002 ' C ' HD13 ' A' ' 6' ' ' LEU . . . -139.1 166.47 25.43 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -114.6 116.72 29.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.589 0.817 . . . . 0.0 109.287 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.02 ' CD2' HD23 ' A' ' 44' ' ' LEU . 5.9 m-85 -119.15 114.71 22.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.597 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -123.81 179.91 4.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 111.076 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.15 -50.6 4.77 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.16 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.4 m -134.78 142.03 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.404 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' O ' ' HB ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -78.8 149.89 32.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 11' ' ' GLN . 1.2 t -179.99 131.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.428 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.11 -164.21 26.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.445 1.091 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.93 -164.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.256 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.6 p -49.19 -60.1 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.423 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' HB3' HD11 ' A' ' 21' ' ' ILE . 1.3 mm-40 -83.62 106.19 15.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 110.319 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLU . 67.3 m -39.35 121.13 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.387 1.054 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.98 ' O ' HG22 ' A' ' 22' ' ' ILE . 11.9 m -55.35 -36.64 41.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.7 -31.23 25.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -47.53 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.777 HG21 HG21 ' A' ' 156' ' ' ILE . 2.8 mp -59.16 -56.38 17.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.98 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.2 tp -54.91 -39.55 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.726 ' CD ' HG11 ' A' ' 31' ' ' VAL . 16.0 ttp180 -59.72 -54.26 48.45 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.505 1.128 . . . . 0.0 110.223 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.25 -18.31 64.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.903 ' HB3' HG21 ' A' ' 160' ' ' VAL . 1.2 mm-40 -77.9 -50.02 13.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE2' HD11 ' A' ' 22' ' ' ILE . 3.1 m-85 -53.63 -53.42 52.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . 93.54 -73.39 1.23 Allowed Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.578 1.173 . . . . 0.0 111.095 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.952 ' HB3' HG22 ' A' ' 30' ' ' VAL . 2.4 m-20 -38.64 152.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.421 0.718 . . . . 0.0 109.295 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -48.04 -26.38 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 28' ' ' ASN . 4.5 m -48.26 101.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.726 HG11 ' CD ' ' A' ' 23' ' ' ARG . 73.1 t -153.65 81.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.853 ' C ' HD23 ' A' ' 33' ' ' LEU . 17.7 p -125.69 164.67 20.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.466 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.853 HD23 ' C ' ' A' ' 32' ' ' THR . 0.2 OUTLIER -165.1 168.12 17.59 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.143 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.511 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 1.4 p-80 -63.06 -13.43 35.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.632 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HB2' HD12 ' A' ' 33' ' ' LEU . 6.8 t70 -39.97 -30.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.875 HG21 ' OD2' ' A' ' 43' ' ' ASP . 30.8 m -80.55 53.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.319 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -69.69 -7.45 39.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -27.15 63.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.92 -171.61 2.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -105.09 -170.42 1.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.784 HG12 ' C ' ' A' ' 71' ' ' SER . 10.2 m -65.3 -11.81 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.587 1.179 . . . . 0.0 109.26 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.6 t -61.25 -28.17 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.354 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.875 ' OD2' HG21 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -55.16 -53.67 53.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.02 HD23 ' CD2' ' A' ' 7' ' ' PHE . 3.8 pp -74.82 -40.12 61.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.253 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.915 ' N ' HD12 ' A' ' 44' ' ' LEU . 59.9 t30 -47.41 -31.16 3.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.385 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.479 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -67.78 -42.65 81.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.646 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -98.29 126.42 43.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.08 . . . . 0.0 110.976 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.582 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -86.36 17.87 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.402 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.856 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -130.02 111.01 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 110.942 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.856 HD22 ' O ' ' A' ' 49' ' ' TYR . 4.1 mm? -138.12 157.63 45.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.365 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.735 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.7 mp -128.14 152.57 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mt -124.98 117.26 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.566 ' HA2' ' CD1' ' A' ' 86' ' ' PHE . . . -139.33 76.66 0.34 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 m -175.63 154.65 1.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' C ' ' CG2' ' A' ' 56' ' ' THR . 18.2 Cg_endo -74.99 92.99 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 55' ' ' PRO . 40.2 p -149.44 80.82 1.4 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.573 1.171 . . . . 0.0 110.388 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -179.78 153.15 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -148.01 168.18 22.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.415 1.072 . . . . 0.0 109.359 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.2 tp -127.27 133.33 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.62 159.47 9.46 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.092 . . . . 0.0 111.051 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.88 3.71 32.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 0.811 . . . . 0.0 110.251 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -122.82 -176.64 3.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.254 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -169.49 170.89 8.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.37 72.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.614 1.196 . . . . 0.0 110.019 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -139.49 179.22 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.22 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.437 ' O ' ' CG ' ' A' ' 67' ' ' GLU . 28.0 p90 -138.06 145.85 42.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.055 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 66' ' ' TRP . 12.9 mt-10 -160.43 177.69 10.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.49 ' H ' HD23 ' A' ' 69' ' ' LEU . . . -149.36 75.92 0.25 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 68' ' ' GLY . 0.5 OUTLIER -176.95 142.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -155.3 47.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.614 1.196 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.784 ' C ' HG12 ' A' ' 41' ' ' VAL . 2.1 p -138.76 40.36 2.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.405 ' C ' ' N ' ' A' ' 74' ' ' ASP . 4.3 tt0 -105.05 153.64 21.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.802 HD22 ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -44.77 -27.26 0.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.602 ' H ' HD13 ' A' ' 73' ' ' LEU . 2.5 t70 -47.82 -24.82 1.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.55 -57.84 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.404 HG21 HD11 ' A' ' 44' ' ' LEU . 84.8 t -48.5 143.41 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 79' ' ' ASN . 2.1 m-20 -93.01 63.81 3.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.566 1.167 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.552 ' CZ ' HD13 ' A' ' 44' ' ' LEU . 2.2 m-30 -48.66 93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 111.076 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.9 OUTLIER -95.09 104.51 16.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 72.37 66.07 2.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.547 1.154 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.484 ' CE ' ' HA ' ' A' ' 78' ' ' PHE . 8.2 mttm -135.99 162.86 31.68 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.528 0.781 . . . . 0.0 109.208 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.921 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -99.9 128.0 46.03 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -130.42 134.33 62.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.735 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -102.59 152.91 20.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -131.7 136.1 47.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.592 ' CD2' ' O ' ' A' ' 86' ' ' PHE . 4.3 p90 -88.38 35.84 0.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.24 175.1 3.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.6 m -133.95 144.84 49.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 0.73 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -75.93 80.8 1.06 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -168.36 89.04 0.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.764 . . . . 0.0 109.262 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.52 -85.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.9 mt -110.82 148.29 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.587 ' O ' ' CD2' ' A' ' 94' ' ' TYR . . . 155.16 123.9 0.87 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.52 1.138 . . . . 0.0 111.035 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 93' ' ' GLY . 4.9 m-85 -173.67 73.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 111.059 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 49.78 79.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.242 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -137.56 104.89 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -144.02 83.3 1.74 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -178.1 149.05 0.53 Allowed 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -158.64 154.07 25.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.598 1.186 . . . . 0.0 110.318 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -144.98 -64.42 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.2 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -125.47 133.65 52.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.4 pp -126.32 128.26 71.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -119.66 104.85 1.07 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.476 1.11 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 4.3 tp -173.88 136.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.496 0.762 . . . . 0.0 109.33 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 mt -150.52 -69.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -72.36 117.93 14.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -179.95 -72.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.397 1.06 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.5 -167.9 2.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.63 HG12 HD23 ' A' ' 73' ' ' LEU . 1.9 mp -65.55 -38.51 82.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.606 1.192 . . . . 0.0 109.317 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.401 ' HB3' ' CG2' ' A' ' 116' ' ' THR . 2.0 m -59.45 -70.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -53.41 -19.99 4.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 110.301 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.4 -49.33 60.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 164.66 129.42 1.04 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 129.91 -134.18 7.76 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.2 146.44 30.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.401 ' CG2' ' HB3' ' A' ' 110' ' ' SER . 0.0 OUTLIER -125.27 122.47 37.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.701 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 11.6 p -107.27 129.75 60.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.538 ' O ' ' CG ' ' A' ' 119' ' ' TYR . . . 164.52 -88.03 0.1 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.456 1.097 . . . . 0.0 111.006 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 118' ' ' GLY . 28.8 m-85 -169.47 112.05 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 0.783 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -140.41 138.4 34.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 108.047 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.26 138.21 58.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 109.987 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.8 p -57.65 -51.51 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -107.3 146.59 31.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -50.95 -74.96 0.24 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -91.94 122.87 34.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 110.982 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.86 118.38 16.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -122.95 117.44 25.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -171.22 163.44 7.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.387 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -87.45 155.33 20.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 86.1 p -123.16 172.83 8.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.615 1.197 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -152.71 142.53 22.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -84.37 179.32 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.92 60.51 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.9 57.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.229 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 60.0 171.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.42 -173.77 44.43 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 0.0 111.078 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -117.44 -56.77 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -40.24 153.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 3.2 m -92.94 -43.37 13.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.341 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 56.2 165.13 0.04 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.601 1.188 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.54 173.8 6.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.626 0.839 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -166.67 130.33 1.97 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.4 mp -106.78 -177.31 3.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -107.99 105.82 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.165 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -60.28 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.203 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -52.17 140.52 20.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -86.48 142.1 28.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.03 166.96 12.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 48.9 m -153.55 -175.11 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.995 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -163.9 166.78 21.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 152' ' ' THR . 0.1 OUTLIER -179.92 129.32 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 151' ' ' LEU . 2.3 p -153.86 160.86 42.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.39 1.056 . . . . 0.0 110.372 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.5 ' O ' ' CD1' ' A' ' 156' ' ' ILE . 7.7 t0 -87.07 -28.06 22.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.466 ' CB ' ' HD3' ' A' ' 157' ' ' LYS . 29.9 m-20 -95.83 22.56 7.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -51.52 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.777 HG21 HG21 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -51.91 -40.33 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.375 1.047 . . . . 0.0 109.337 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.466 ' HD3' ' CB ' ' A' ' 154' ' ' ASP . 2.6 pttp -64.13 -35.17 79.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 161' ' ' ALA . 48.0 t -70.94 -61.21 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.649 ' CH2' HG21 ' A' ' 51' ' ' ILE . 24.1 t90 -51.8 -56.08 16.02 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.903 HG21 ' HB3' ' A' ' 25' ' ' GLU . 61.1 t -50.84 -38.17 17.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -67.95 -31.5 71.29 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.36 -55.09 11.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 159' ' ' TRP . 0.1 OUTLIER -63.64 -54.26 38.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.472 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -55.18 -33.12 62.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 2.3 t -63.47 -76.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.368 1.042 . . . . 0.0 110.094 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.14 -48.51 12.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.921 ' CE1' HD13 ' A' ' 82' ' ' LEU . 18.7 m-30 -61.33 -27.31 68.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 111.039 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 165' ' ' SER . . . 142.86 80.04 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 110.997 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 165' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.96 141.2 52.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.759 ' HA ' HG12 ' A' ' 30' ' ' VAL . 5.7 tptt -176.97 62.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.63 1.206 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.781 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -76.75 150.35 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.993 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -139.94 173.43 22.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.153 . . . . 0.0 110.991 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -126.09 116.48 21.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 0.768 . . . . 0.0 109.306 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.974 ' CD2' HD23 ' A' ' 44' ' ' LEU . 9.9 m-85 -128.25 116.51 19.98 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.586 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.5 OUTLIER -123.34 179.87 4.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.7 2.94 21.54 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 0.0 111.028 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 11' ' ' GLN . 10.1 t -148.76 124.36 10.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 0.822 . . . . 0.0 110.363 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -38.94 157.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.573 1.17 . . . . 0.0 110.406 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 13' ' ' GLY . 88.2 m -157.38 174.31 15.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.429 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.497 ' H ' HG22 ' A' ' 12' ' ' THR . . . 154.62 167.33 16.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.75 -91.91 0.41 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 15' ' ' THR . 3.2 m -162.91 28.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.404 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' CG ' ' N ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -168.96 -97.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.417 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -156.97 75.28 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.077 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.946 ' O ' HG22 ' A' ' 22' ' ' ILE . 9.4 p -63.18 -34.42 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.458 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -54.28 -31.59 54.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.21 -45.77 54.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.693 ' CG2' HD13 ' A' ' 156' ' ' ILE . 2.6 mp -60.06 -54.15 38.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.946 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.6 tp -59.54 -34.22 54.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.756 ' HB2' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -63.03 -53.98 45.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -28.86 69.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.759 ' HB3' HG21 ' A' ' 160' ' ' VAL . 4.9 mm-40 -68.49 -49.67 57.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.276 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.781 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.6 OUTLIER -48.39 -22.41 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.63 -45.84 1.34 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.384 1.052 . . . . 0.0 111.052 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.542 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.7 m-20 -102.81 -171.92 2.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -91.7 -5.77 53.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.379 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.759 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -47.8 99.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.756 HG21 ' HB2' ' A' ' 23' ' ' ARG . 2.5 t -155.64 81.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.619 1.199 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.521 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 72.1 p -107.86 99.84 9.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.373 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.625 HD12 ' OD1' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -95.06 167.11 11.58 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.457 1.098 . . . . 0.0 109.199 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.526 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -73.38 -3.96 30.49 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.529 1.143 . . . . 0.0 109.629 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.625 ' OD1' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.04 -30.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' HIS . 5.2 m -85.81 48.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.1 t -57.13 -17.19 9.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.941 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -5.55 32.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.555 1.159 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.26 -171.49 1.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -106.48 174.38 5.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.699 HG12 ' C ' ' A' ' 71' ' ' SER . 3.2 m -65.19 -12.01 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.447 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 5.9 t -54.62 -30.63 55.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.6 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 1.3 m-20 -56.03 -53.48 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.974 HD23 ' CD2' ' A' ' 7' ' ' PHE . 3.7 pp -77.01 -23.99 52.17 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.567 1.167 . . . . 0.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.624 ' N ' HD12 ' A' ' 44' ' ' LEU . 51.8 t30 -60.44 -31.05 70.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.358 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 5.4 m-20 -74.59 -44.2 51.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -105.37 113.18 26.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.941 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.451 ' O ' ' HB2' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -76.72 3.84 10.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.19 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -106.48 112.99 26.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 110.956 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.625 HD23 ' HE2' ' A' ' 78' ' ' PHE . 2.1 mm? -134.11 164.68 26.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.192 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.993 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.1 mp -128.71 145.11 36.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.732 HG22 ' O ' ' A' ' 7' ' ' PHE . 2.7 pp -136.94 156.12 34.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.384 1.052 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -131.15 77.32 0.39 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 25.4 p -167.3 152.44 7.0 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.6 39.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 56' ' ' THR . 9.2 t -144.09 110.91 5.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 0.0 110.434 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 54.0 m95 -71.63 161.85 30.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.615 1.197 . . . . 0.0 107.974 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -88.61 154.47 20.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.9 tp -84.13 151.88 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.34 -57.08 21.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.597 1.186 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -153.77 -58.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.767 . . . . 0.0 110.249 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.96 166.42 31.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.461 ' O ' ' OE1' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -175.57 171.89 2.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.593 1.183 . . . . 0.0 110.291 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.0 p -102.38 137.79 40.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.4 138.27 51.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.418 1.074 . . . . 0.0 109.25 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 6.0 m95 -88.64 164.76 15.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.005 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -44.6 156.06 0.09 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.85 178.98 53.13 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.597 1.186 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.586 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 1.0 OUTLIER -92.26 -67.52 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 0.729 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 69' ' ' LEU . 4.1 m-85 -179.95 -36.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.699 ' C ' HG12 ' A' ' 41' ' ' VAL . 2.3 p -168.97 44.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.21 165.14 11.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.226 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.782 HD12 HG21 ' A' ' 109' ' ' ILE . 1.7 pt? -51.31 -27.14 8.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.877 ' HA ' HD13 ' A' ' 109' ' ' ILE . 1.0 OUTLIER -61.15 -21.19 63.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.43 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -75.29 -54.97 6.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.648 HG21 ' CE1' ' A' ' 78' ' ' PHE . 35.3 m -66.08 147.23 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.2 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.55 59.24 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.648 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.6 m-30 -51.85 137.51 26.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.3 m-80 -132.9 143.29 49.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.306 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 38.6 29.26 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.596 ' NZ ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -75.66 171.26 14.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 0.717 . . . . 0.0 109.263 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.03 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -117.46 138.53 51.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 109.24 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.596 HG13 ' NZ ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -135.95 130.59 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.78 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.28 121.15 41.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 109.228 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -96.96 119.73 35.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.484 ' HA ' ' CE2' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -53.9 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -174.78 119.91 0.75 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 45.3 p -65.46 -170.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.461 0.742 . . . . 0.0 110.417 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.01 -111.59 1.29 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.945 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -139.54 -174.07 3.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.44 ' NE2' ' OG1' ' A' ' 152' ' ' THR . 0.2 OUTLIER -126.09 -60.51 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.7 pt -40.54 138.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.319 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.08 164.19 54.38 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.4 1.063 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.55 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 15.6 t80 -171.94 -42.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.41 0.712 . . . . 0.0 111.02 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 94' ' ' TYR . . . 173.22 177.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.61 93.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.0 t30 172.67 130.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.436 1.085 . . . . 0.0 109.209 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -177.47 167.07 2.27 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.46 -171.77 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -105.86 168.56 9.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.03 -174.18 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.21 -174.54 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.549 ' O ' HD22 ' A' ' 105' ' ' LEU . . . 136.03 168.67 11.57 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.443 1.089 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.796 ' C ' HD22 ' A' ' 105' ' ' LEU . 3.2 tt -63.28 167.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.345 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.796 HD22 ' C ' ' A' ' 104' ' ' ILE . 3.0 mm? -144.78 81.5 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 112' ' ' ARG . 1.6 tm-20 -175.45 98.83 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 63' ' ' GLN . 1.1 mm-40 -179.97 -88.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -116.39 121.47 42.0 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.409 1.068 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.877 HD13 ' HA ' ' A' ' 74' ' ' ASP . 3.4 mp -51.71 -32.14 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 m -39.82 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.604 1.19 . . . . 0.0 109.997 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -92.51 -41.88 10.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.609 1.193 . . . . 0.0 110.228 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.645 ' HE ' HD13 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -58.47 -47.99 82.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -36.63 -48.63 1.3 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 179.83 -119.58 0.64 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.17 152.37 25.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.795 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.8 m -122.83 122.44 38.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.366 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 167' ' ' PHE . 14.5 p -93.96 131.14 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 163.79 -88.7 0.1 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -143.09 106.88 4.64 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.377 0.692 . . . . 0.0 111.024 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.414 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 9.1 p-90 -174.75 118.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 107.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 65.1 p -174.9 137.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 0.0 109.922 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.6 p -140.46 -50.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -136.0 131.42 34.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -102.35 145.79 16.64 Favored Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.51 177.8 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.65 -62.94 1.4 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.637 1.21 . . . . 0.0 109.306 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -62.78 91.68 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.89 167.42 5.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.09 150.15 52.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.223 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 33.2 t -170.12 159.96 7.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.999 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -67.65 149.57 49.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -113.34 148.21 36.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.407 1.067 . . . . 0.0 109.353 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.65 166.46 24.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.448 ' O ' ' ND2' ' A' ' 135' ' ' ASN . 0.0 OUTLIER -55.72 143.05 32.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 134' ' ' ARG . 28.0 m120 -153.5 174.48 14.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.451 ' O ' ' CG ' ' A' ' 137' ' ' LYS . . . 102.62 94.22 2.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.123 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 136' ' ' GLY . 14.6 mttm -169.51 67.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -178.11 165.77 1.93 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 110.945 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 139' ' ' VAL . 8.6 p -166.63 112.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 169.94 173.53 37.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.4 -176.67 5.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 0.0 109.304 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.43 145.42 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.445 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.92 153.13 19.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -62.74 173.94 1.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -50.43 73.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.19 127.63 10.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 41.1 p-10 -92.24 -177.01 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -152.03 -174.66 4.94 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.468 1.105 . . . . 0.0 110.258 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.5 -171.13 3.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -168.18 -173.9 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.5 mp -133.7 -178.07 4.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.44 ' OG1' ' NE2' ' A' ' 91' ' ' GLN . 0.9 OUTLIER 179.92 148.24 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 155' ' ' ARG . 25.8 t0 -54.94 -59.84 4.19 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.442 ' OD1' ' CD ' ' A' ' 157' ' ' LYS . 9.3 m-20 -66.53 73.7 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.38 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 153' ' ' ASP . 0.4 OUTLIER -75.82 -56.49 4.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.693 HD13 ' CG2' ' A' ' 21' ' ' ILE . 36.1 pt -69.37 -42.46 81.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.426 1.079 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.442 ' CD ' ' OD1' ' A' ' 154' ' ' ASP . 4.9 mtpt -57.41 -30.97 65.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 28.8 t -75.97 -71.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.868 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 39.5 t90 -42.08 -54.08 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.759 HG21 ' HB3' ' A' ' 25' ' ' GLU . 75.7 t -51.3 -51.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -54.99 -32.45 61.76 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.607 1.192 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.518 ' HG3' HG22 ' A' ' 117' ' ' VAL . 32.7 tp60 -69.3 -47.85 63.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.112 . . . . 0.0 110.238 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.868 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.7 OUTLIER -59.67 -53.77 54.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -36.64 75.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.382 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.462 ' HB2' HG23 ' A' ' 117' ' ' VAL . 5.9 tp10 -60.43 -57.52 12.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 1.03 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.7 m-30 -39.95 -46.38 2.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -70.34 -68.79 1.54 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.4 HD12 ' C ' ' A' ' 169' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.34 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.525 ' HE3' ' NZ ' ' A' ' 164' ' ' LYS . 1.5 mtpm? -93.76 148.11 22.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.372 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.728 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -175.66 65.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.235 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.946 HD13 ' CE2' ' A' ' 26' ' ' PHE . 1.3 mp -75.63 149.62 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.64 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -138.83 -178.78 16.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.469 1.106 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.64 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -139.32 116.92 11.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 0.745 . . . . 0.0 109.25 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.22 ' CE2' HD23 ' A' ' 44' ' ' LEU . 32.1 m-85 -132.12 121.69 24.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -129.05 179.89 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 111.052 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.43 -140.71 0.49 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.43 1.081 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -136.37 12.33 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 0.745 . . . . 0.0 110.394 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -108.14 -21.96 12.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 p -58.6 -101.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.589 1.181 . . . . 0.0 110.41 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.9 142.14 7.23 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.547 1.155 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -143.97 162.49 36.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 16' ' ' GLU . 67.2 p -145.23 -76.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' N ' ' OG1' ' A' ' 15' ' ' THR . 0.3 OUTLIER -39.16 158.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.273 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.2 m -87.91 43.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.058 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.987 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.9 m -55.73 -35.15 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.59 -28.27 13.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.12 -46.48 28.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.963 HG21 HG21 ' A' ' 156' ' ' ILE . 2.7 mp -61.49 -56.42 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.987 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.1 tp -54.72 -43.89 68.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.515 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -56.22 -53.93 51.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.294 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -63.89 -23.73 67.46 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.496 1.123 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.882 ' CB ' HG21 ' A' ' 160' ' ' VAL . 51.4 mm-40 -77.54 -29.67 52.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.138 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.946 ' CE2' HD13 ' A' ' 4' ' ' ILE . 1.5 m-85 -75.17 0.48 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 111.016 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.88 47.05 9.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.389 1.055 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.691 ' HB3' HG22 ' A' ' 30' ' ' VAL . 20.2 m-20 -172.84 -174.2 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.596 0.821 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -101.87 -12.6 18.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.728 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -48.35 100.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG21 ' CG ' ' A' ' 23' ' ' ARG . 53.3 t -155.12 84.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.394 1.059 . . . . 0.0 109.397 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.53 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 66.6 p -113.85 99.53 7.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.361 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.962 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -108.07 165.49 11.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.601 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -58.76 -16.62 17.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.577 1.173 . . . . 0.0 109.695 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.962 ' HB2' HD13 ' A' ' 33' ' ' LEU . 7.8 t70 -39.02 -31.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.253 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 33' ' ' LEU . 6.4 m -83.78 50.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.419 1.075 . . . . 0.0 109.374 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -59.12 -15.19 12.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 110.092 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -6.64 38.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.395 1.059 . . . . 0.0 110.255 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.63 -171.45 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.372 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -109.89 177.18 4.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.578 ' CG2' HG13 ' A' ' 76' ' ' VAL . 2.2 p -65.29 -11.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.451 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 39.7 p -56.29 -29.07 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.58 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -52.51 -54.35 33.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.22 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.2 pp -77.68 -34.75 52.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.727 ' N ' HD12 ' A' ' 44' ' ' LEU . 42.8 t30 -47.47 -31.02 3.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.516 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 67.0 t0 -84.41 -35.28 23.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.58 ' CE2' ' O ' ' A' ' 43' ' ' ASP . 0.2 OUTLIER -102.29 110.4 22.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.418 1.074 . . . . 0.0 110.974 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.3 OUTLIER -84.92 47.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.239 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.578 ' HB3' HD11 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -155.83 113.46 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.96 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.906 HD11 ' HB2' ' A' ' 44' ' ' LEU . 3.3 mt -146.3 164.85 31.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.754 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 3.1 mt -117.0 145.85 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.467 1.105 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 7' ' ' PHE . 11.9 pt -129.06 -176.67 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.79 32.31 0.15 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.1 p -154.22 152.43 26.42 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 167.34 27.26 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.481 1.779 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 p -140.79 137.05 33.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.423 ' O ' HG22 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -174.22 -57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -40.89 111.89 0.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.22 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 59' ' ' ILE . 3.6 tt -173.73 35.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.254 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.41 154.21 16.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -179.92 144.35 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.323 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.91 -69.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -49.32 132.85 20.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.382 1.051 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 17.0 t -55.78 139.59 44.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.07 174.39 3.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -131.67 134.13 45.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -172.67 164.08 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.61 146.17 5.76 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.578 1.173 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.8 mt -131.28 -164.86 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 0.773 . . . . 0.0 109.36 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 13.0 p90 -175.82 101.54 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.968 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 99.1 p -179.99 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.951 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' C ' ' N ' ' A' ' 74' ' ' ASP . 27.9 mt-10 -103.76 143.05 33.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.938 HD21 HD13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -46.1 -26.71 0.8 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.587 ' H ' HD13 ' A' ' 73' ' ' LEU . 21.4 t70 -53.13 -21.42 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.422 ' HB3' HG11 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -76.97 -55.01 5.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.696 HG21 ' CE1' ' A' ' 78' ' ' PHE . 32.4 m -70.5 154.16 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.86 65.55 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.696 ' CE1' HG21 ' A' ' 76' ' ' VAL . 2.3 m-30 -51.06 125.67 14.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -137.73 98.08 3.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 88.37 64.65 1.33 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.762 ' NZ ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -132.24 171.25 13.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 0.787 . . . . 0.0 109.23 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.992 ' O ' HD12 ' A' ' 82' ' ' LEU . 2.1 pp -101.45 126.25 48.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.762 HG13 ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -125.88 128.55 72.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.754 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -101.98 162.72 12.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.103 . . . . 0.0 109.239 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.78 116.92 17.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -81.01 102.51 10.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 53.7 -138.08 38.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 67.3 p -127.61 -54.63 1.33 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 0.814 . . . . 0.0 110.381 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 123.39 -176.55 16.69 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.535 1.147 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.18 96.14 5.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 0.757 . . . . 0.0 109.241 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -147.34 115.4 6.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.754 ' O ' HD12 ' A' ' 92' ' ' ILE . 2.3 pp -66.97 96.09 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.71 -147.51 3.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -159.43 171.39 19.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 111.051 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.55 -61.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -98.08 118.85 35.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -163.78 106.04 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -175.45 167.4 3.3 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -158.78 -59.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.597 1.186 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -110.47 164.06 13.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.04 120.11 32.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 pt -88.17 154.58 3.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -95.51 -161.21 33.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -128.12 -54.56 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.532 0.784 . . . . 0.0 109.265 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.48 ' N ' HG23 ' A' ' 104' ' ' ILE . 0.1 OUTLIER -64.07 101.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -162.24 151.04 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.419 1.074 . . . . 0.0 110.271 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 69.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 22.0 mttt -118.37 111.88 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.938 HD13 HD21 ' A' ' 73' ' ' LEU . 2.8 mp -51.61 -32.2 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.16 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -92.31 -41.8 10.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -58.53 -47.93 82.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.551 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -36.63 -52.27 1.42 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.45 -118.24 0.74 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -112.18 151.06 29.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 109.362 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 22.1 m -108.9 147.35 32.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.31 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.775 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 8.1 p -134.54 135.72 53.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 108.96 24.31 6.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.565 1.165 . . . . 0.0 110.999 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -80.08 155.58 27.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.773 . . . . 0.0 110.949 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -178.64 98.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 107.982 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.552 ' O ' HG23 ' A' ' 122' ' ' THR . 7.5 t -88.67 124.18 33.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 121' ' ' SER . 17.2 p -157.52 90.86 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.08 -67.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 169.01 -85.48 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.558 1.161 . . . . 0.0 111.022 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -38.32 119.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -109.32 101.09 10.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -94.4 151.76 19.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.931 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -178.41 149.94 0.53 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.86 150.89 28.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 9.2 t -173.91 93.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -81.8 72.6 8.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.593 1.183 . . . . 0.0 109.24 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -173.79 151.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.487 HD23 ' H ' ' A' ' 133' ' ' LEU . 0.6 OUTLIER -81.03 63.37 5.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -168.54 98.59 0.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -135.13 142.44 46.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -170.36 86.82 0.09 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.52 1.137 . . . . 0.0 110.939 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -91.87 170.6 9.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.76 . . . . 0.0 109.282 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -118.64 163.22 17.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 140' ' ' GLY . 8.0 p -141.41 165.41 18.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.411 ' N ' HG22 ' A' ' 139' ' ' VAL . . . -125.34 165.76 18.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.566 1.167 . . . . 0.0 111.038 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.19 160.46 13.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 0.807 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -176.21 156.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.282 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.31 115.78 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -110.9 101.27 9.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.56 -60.15 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -44.89 103.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -56.4 119.84 6.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.246 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.28 118.1 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.336 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 98.9 p -130.02 70.79 1.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -162.76 162.17 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.18 157.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 14.6 t -113.28 162.23 16.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -92.09 -20.79 20.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -92.47 35.65 1.01 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.04 -56.67 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.963 HG21 HG21 ' A' ' 21' ' ' ILE . 0.7 OUTLIER -52.25 -46.63 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.243 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -64.0 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.206 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 -68.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.944 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.858 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 30.2 t90 -46.81 -53.93 10.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.882 HG21 ' CB ' ' A' ' 25' ' ' GLU . 48.2 t -51.35 -51.64 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.358 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -54.48 -31.8 56.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -47.37 57.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 110.336 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.858 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -61.04 -53.41 57.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.525 ' NZ ' ' HE3' ' A' ' 2' ' ' LYS . 5.4 mmmt -64.55 -29.78 70.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -57.95 -74.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.636 1.21 . . . . 0.0 109.979 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.69 ' HB2' HG23 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -53.65 -53.68 48.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.949 ' CZ ' HD13 ' A' ' 82' ' ' LEU . 15.7 m-30 -53.86 -22.7 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -81.07 -70.49 1.34 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 165' ' ' SER . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.44 ' HB3' HG11 ' A' ' 30' ' ' VAL . 9.3 mptt -125.72 155.32 41.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.218 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.885 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -174.83 66.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.519 1.137 . . . . 0.0 109.24 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.554 HD12 HG21 ' A' ' 30' ' ' VAL . 1.1 mp -74.24 147.55 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.418 1.074 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.97 ' C ' HD13 ' A' ' 6' ' ' LEU . . . -137.36 171.81 23.01 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.97 HD13 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -131.66 115.83 16.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.05 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.3 m-85 -124.5 122.54 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.721 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -127.96 179.81 5.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.18 -97.3 1.05 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.446 1.092 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.502 HG22 ' N ' ' A' ' 11' ' ' GLN . 96.4 m -55.69 173.17 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 0.74 . . . . 0.0 110.423 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.695 ' O ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER -132.73 130.52 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 11' ' ' GLN . 2.4 p -159.93 158.35 30.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 110.414 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.2 161.66 10.34 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.374 1.046 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -174.97 -55.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.314 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.3 p -54.6 -168.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -38.96 139.1 0.49 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 110.296 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.458 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 21.9 m -67.67 75.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 109.976 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 m -55.34 -31.7 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 22' ' ' ILE . . . -53.22 -49.68 66.29 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.645 1.215 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.42 -34.34 78.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 110.251 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -60.1 -56.88 14.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 19' ' ' ALA . 7.0 tp -54.77 -45.08 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.798 HH21 ' CD2' ' A' ' 33' ' ' LEU . 78.5 mtt180 -50.12 -44.4 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -69.96 -40.07 75.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.795 ' CG ' HD12 ' A' ' 156' ' ' ILE . 0.2 OUTLIER -57.37 -33.95 68.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.353 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.536 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 1.9 m-85 -72.05 -3.43 22.91 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . 37.76 86.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.174 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.79 ' HB3' HG22 ' A' ' 30' ' ' VAL . 3.2 m-20 156.44 -171.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.791 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -99.77 -18.22 17.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.885 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -51.23 100.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 29' ' ' ASP . 26.8 m -154.71 81.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.571 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 47.0 p -115.68 99.48 7.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.393 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.818 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -97.21 166.4 11.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.402 1.064 . . . . 0.0 109.282 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.721 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -67.63 -9.45 43.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.547 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.818 ' HB2' HD13 ' A' ' 33' ' ' LEU . 11.8 t70 -39.3 -30.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.401 1.063 . . . . 0.0 109.215 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.45 ' N ' ' C ' ' A' ' 34' ' ' HIS . 13.9 p -82.32 52.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.353 1.033 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -65.44 -10.62 35.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -5.61 33.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.418 1.074 . . . . 0.0 110.271 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.59 -171.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.61 176.31 5.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.831 HG12 ' O ' ' A' ' 71' ' ' SER . 3.5 m -64.82 -12.23 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.413 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.452 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 6.2 t -56.39 -29.94 62.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.75 -53.39 58.36 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.407 1.067 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.05 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.7 pp -77.28 -23.14 51.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.412 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.59 ' N ' HD12 ' A' ' 44' ' ' LEU . 55.7 t30 -61.26 -32.03 71.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.1 -45.42 49.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.353 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.66 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -92.3 117.02 29.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 111.11 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.616 ' HG2' ' CE1' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -85.25 33.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.852 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -141.42 112.18 7.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.448 1.093 . . . . 0.0 111.066 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.852 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.7 mm? -141.08 161.22 38.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.389 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.69 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.8 mp -126.64 153.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.412 1.07 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 51' ' ' ILE . 3.9 mm -122.19 113.4 38.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.31 -91.35 0.27 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.441 1.088 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.4 95.25 4.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.12 -53.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.583 1.833 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.0 t -101.79 149.47 24.14 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.563 1.164 . . . . 0.0 110.384 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -78.52 -68.94 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.038 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.11 128.82 47.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.1 tt -49.0 161.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.209 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 48.95 84.04 0.02 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.419 1.074 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -167.18 81.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.403 0.708 . . . . 0.0 110.345 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 tp -143.5 74.28 1.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.606 1.191 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.13 157.85 29.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 p -169.81 146.74 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.94 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -95.41 -51.64 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -159.25 76.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.28 111.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.18 121.77 1.2 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.478 1.111 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.23 131.61 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -158.91 164.03 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.177 . . . . 0.0 110.953 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.831 ' O ' HG12 ' A' ' 41' ' ' VAL . 3.2 m -156.27 51.86 0.53 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.558 1.161 . . . . 0.0 109.943 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 8' ' ' TYR . 3.1 tt0 -105.08 -174.52 2.55 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.609 1.193 . . . . 0.0 110.342 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -65.7 -27.29 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -51.2 -22.57 2.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -88.92 -57.37 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.63 HG21 HD11 ' A' ' 44' ' ' LEU . 48.5 t -40.44 144.98 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.99 54.69 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 1.002 ' CD2' HD13 ' A' ' 73' ' ' LEU . 1.7 m-30 -49.36 130.17 19.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -137.84 119.97 15.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.61 65.04 3.86 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.06 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.565 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -128.77 170.73 12.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 109.32 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.818 ' O ' HD12 ' A' ' 82' ' ' LEU . 0.6 OUTLIER -106.15 135.1 48.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.474 ' CG1' ' HE3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -136.28 134.56 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.926 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -105.69 135.13 47.66 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.477 ' CD1' ' O ' ' A' ' 88' ' ' THR . 0.8 OUTLIER -115.75 115.07 25.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.404 1.065 . . . . 0.0 111.013 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.586 ' HB2' ' CZ2' ' A' ' 159' ' ' TRP . 3.0 t80 -98.58 82.84 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 151.79 -124.22 1.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.477 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 53.2 m -76.8 163.9 26.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 110.419 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 110.14 41.15 1.31 Allowed Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -41.59 158.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 0.714 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -73.17 -61.23 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.3 tp -162.22 136.83 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -128.34 63.26 0.62 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.544 1.152 . . . . 0.0 111.0 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -100.76 156.94 17.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 0.749 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.84 -61.41 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.35 147.06 38.37 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -112.21 144.25 41.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -170.11 152.6 4.31 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -62.22 1.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.27 150.09 2.67 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.348 1.03 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.58 160.43 36.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.622 HD13 ' H ' ' A' ' 102' ' ' ILE . 0.2 OUTLIER -131.92 178.99 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.386 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.449 ' O ' HG23 ' A' ' 104' ' ' ILE . . . 94.74 132.47 6.76 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.55 1.156 . . . . 0.0 110.986 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.449 HG23 ' O ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER -154.86 85.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.742 . . . . 0.0 109.333 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.29 116.09 19.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.33 152.32 14.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -173.53 -76.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.354 1.034 . . . . 0.0 110.337 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.2 OUTLIER -97.45 170.92 8.72 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 1.039 HG21 HD11 ' A' ' 73' ' ' LEU . 0.4 OUTLIER -52.89 -32.39 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.249 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.42 ' OG ' HG21 ' A' ' 83' ' ' VAL . 11.5 m -72.15 -71.34 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.166 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -55.02 -18.76 5.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.427 1.079 . . . . 0.0 110.231 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 5.2 ttm180 -76.21 -47.18 24.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.42 74.3 0.18 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.473 ' CA ' ' O ' ' A' ' 81' ' ' LYS . . . 159.78 167.07 19.88 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -106.06 146.38 30.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.387 0.698 . . . . 0.0 109.355 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.4 t -116.32 124.86 51.19 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.175 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.926 HG22 ' HA ' ' A' ' 84' ' ' ALA . 3.0 m -94.15 148.14 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -137.91 -157.17 7.41 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.42 1.075 . . . . 0.0 110.984 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 159' ' ' TRP . 2.7 m-85 -104.85 163.72 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 110.963 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -133.76 63.72 1.62 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.29 -71.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 69.2 p -92.33 123.2 35.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.402 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -177.88 121.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -178.83 -106.32 0.2 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.85 115.34 14.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 0.731 . . . . 0.0 111.029 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.06 128.66 53.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -100.87 167.5 10.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -165.74 108.58 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -95.79 92.54 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.239 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 5.2 t -102.9 90.96 3.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.15 . . . . 0.0 109.96 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.67 141.04 13.44 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.424 1.078 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -130.93 144.57 51.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.03 -72.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.242 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.05 85.77 1.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.38 1.05 . . . . 0.0 110.31 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.74 176.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.251 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -174.68 163.79 34.38 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -136.76 81.47 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 0.799 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -159.47 153.83 23.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 13.7 p -165.06 143.0 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.577 1.173 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 115.44 95.46 2.0 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -164.25 61.96 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 109.382 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -149.51 133.22 16.86 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.37 89.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -110.53 94.8 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.28 -60.16 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -42.38 152.28 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -115.8 130.78 56.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.594 1.184 . . . . 0.0 109.229 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -96.6 150.5 20.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 1.074 . . . . 0.0 110.352 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.8 t -179.87 146.08 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.056 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -164.95 144.09 6.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 152' ' ' THR . 0.3 OUTLIER -89.55 175.36 7.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.42 ' N ' HD12 ' A' ' 151' ' ' LEU . 24.0 m -154.42 145.43 22.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.422 1.076 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.43 -59.85 4.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.88 53.66 2.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -75.8 -44.33 41.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.344 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.843 ' O ' HG23 ' A' ' 160' ' ' VAL . 3.4 pt -52.48 -40.36 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.225 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 8.0 mttt -61.83 -30.98 71.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 161' ' ' ALA . 5.6 t -68.64 -60.22 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.999 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.586 ' CZ2' ' HB2' ' A' ' 86' ' ' PHE . 37.9 t90 -54.44 -55.33 29.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 108.002 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 156' ' ' ILE . 59.0 t -51.55 -36.96 18.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.5 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -68.09 -31.87 71.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -68.33 -54.93 14.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 110.317 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.831 ' HB3' HG21 ' A' ' 117' ' ' VAL . 0.1 OUTLIER -64.36 -54.25 35.85 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.572 1.17 . . . . 0.0 109.225 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.536 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -54.71 -32.75 60.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.687 ' O ' HD23 ' A' ' 169' ' ' LEU . 2.4 t -64.31 -75.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.087 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.12 -54.72 12.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.744 ' CZ ' HD13 ' A' ' 82' ' ' LEU . 13.5 m-30 -49.34 -37.72 25.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.499 1.124 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 169' ' ' LEU . . . 150.3 79.25 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.432 1.083 . . . . 0.0 111.018 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.687 HD23 ' O ' ' A' ' 165' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.451 0.736 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.66 137.01 52.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.371 1.044 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.787 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -176.16 69.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.607 1.192 . . . . 0.0 109.283 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.761 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.7 OUTLIER -80.16 148.13 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.877 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -137.64 175.3 21.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.575 HD13 HD23 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -134.38 117.09 15.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.736 . . . . 0.0 109.254 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.14 ' CE2' HD23 ' A' ' 44' ' ' LEU . 9.8 m-85 -128.77 122.06 29.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.637 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -136.48 179.87 6.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 111.067 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.03 -14.43 26.58 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 11' ' ' GLN . 10.5 t -99.88 -153.96 0.46 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 0.748 . . . . 0.0 110.389 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.545 ' OE1' ' CE2' ' A' ' 66' ' ' TRP . 0.0 OUTLIER -118.14 -157.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 110.321 179.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p -71.85 -162.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 110.404 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.82 -110.19 0.87 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.068 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HE3' HG23 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -40.59 153.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.5 p -58.12 -59.2 5.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.57 176.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.8 p -91.45 83.86 5.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.88 ' O ' HG22 ' A' ' 22' ' ' ILE . 13.1 p -55.29 -40.03 54.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -53.41 -30.57 40.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -73.54 -43.29 60.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.218 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.205 ' CG2' HD13 ' A' ' 156' ' ' ILE . 2.5 mp -63.29 -55.18 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.88 HG22 ' O ' ' A' ' 18' ' ' VAL . 2.6 tp -59.12 -33.13 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' CB ' HG21 ' A' ' 31' ' ' VAL . 12.3 ttt-85 -65.11 -54.2 33.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.74 -20.0 65.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.586 1.178 . . . . 0.0 109.348 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 1.206 ' CG ' HD12 ' A' ' 156' ' ' ILE . 3.9 mm-40 -77.7 -49.35 14.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.761 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.7 OUTLIER -50.5 -20.93 1.29 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.596 1.185 . . . . 0.0 111.003 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.68 -67.43 1.88 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 111.027 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.55 ' CB ' HG22 ' A' ' 30' ' ' VAL . 2.0 m120 -73.56 -172.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.44 -7.54 50.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.787 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -48.6 99.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.55 1.156 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 30' ' ' VAL . 17.0 t -156.4 84.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.228 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.566 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 72.8 p -114.72 99.22 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.972 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -112.9 163.05 15.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.598 1.186 . . . . 0.0 109.237 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.591 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 2.0 p-80 -39.13 -30.88 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.566 1.167 . . . . 0.0 109.551 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.972 ' HB2' HD13 ' A' ' 33' ' ' LEU . 7.6 t0 -39.21 -31.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 33' ' ' LEU . 16.9 m -82.01 52.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.3 t -63.78 -11.5 27.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -6.25 35.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.263 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.74 126.92 37.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.068 . . . . 0.0 109.287 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -169.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.511 HG23 HD21 ' A' ' 44' ' ' LEU . 7.6 p -65.61 -11.36 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.468 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 4.7 t -58.17 -26.54 62.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.606 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -55.82 -53.97 50.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.14 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.2 pp -76.35 -22.37 54.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 42' ' ' THR . 54.6 t30 -63.51 -30.44 71.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.235 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.468 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 12.3 m-20 -83.04 -40.69 19.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.652 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -94.59 115.75 27.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.965 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.482 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.6 OUTLIER -85.77 43.63 1.05 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 110.295 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.993 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -154.39 112.67 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.993 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.0 mm? -139.43 165.54 26.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 0.0 109.248 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.877 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.1 mp -121.99 139.28 49.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.596 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 6.2 pt -130.53 -173.41 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 109.364 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 86' ' ' PHE . . . 167.0 41.17 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -135.89 163.91 47.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -178.82 4.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.78 . . . . 0.0 111.002 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.8 t -107.73 -39.18 5.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.473 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -97.79 -72.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 107.975 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 169.15 -178.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mt -114.99 118.0 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.606 1.191 . . . . 0.0 109.364 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.71 84.72 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.93 129.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 0.795 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.39 93.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.368 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -128.31 -178.84 4.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.246 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.67 126.57 49.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.037 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.61 -176.68 3.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.545 ' CE2' ' OE1' ' A' ' 11' ' ' GLN . 11.0 m95 -125.7 -94.31 0.47 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.559 1.162 . . . . 0.0 107.979 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.27 -176.7 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.0 -179.53 42.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.66 -173.34 3.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 0.793 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -140.5 71.35 1.37 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.592 1.182 . . . . 0.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.9 p -178.73 48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.035 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.538 ' HG3' HD13 ' A' ' 73' ' ' LEU . 0.7 OUTLIER -105.39 -160.89 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.814 HD22 ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -53.85 -26.35 24.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.219 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.618 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -72.04 -21.4 61.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -79.64 -59.53 2.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.348 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.699 HG21 ' CE1' ' A' ' 78' ' ' PHE . 15.2 m -45.28 168.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -101.72 59.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.699 ' CE1' HG21 ' A' ' 76' ' ' VAL . 2.3 m-30 -61.64 121.88 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.108 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -138.29 95.52 3.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 93.1 64.94 1.08 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.6 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -133.53 170.86 14.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 0.0 109.292 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.033 HD13 ' CE2' ' A' ' 167' ' ' PHE . 2.1 pp -102.54 132.0 48.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.502 HG13 ' CE ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -128.16 118.41 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.865 ' O ' HG23 ' A' ' 51' ' ' ILE . . . -101.71 113.86 27.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.518 ' CD1' ' HA2' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -97.23 138.1 35.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.055 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 52' ' ' ILE . 9.8 p90 -127.5 27.63 5.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 86' ' ' PHE . . . -37.8 -79.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.051 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 53.8 m -124.34 -101.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 161.53 -152.88 23.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.61 100.62 7.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -124.26 143.22 50.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.347 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.7 mt -63.71 82.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' GLN . . . -176.22 162.19 30.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.515 1.134 . . . . 0.0 111.056 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.74 95.01 4.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 0.783 . . . . 0.0 110.929 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 62.2 156.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -86.59 -52.44 5.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 172.79 -39.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -55.63 113.44 1.46 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -98.51 161.97 13.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.241 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -155.18 86.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.59 -69.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.355 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.594 ' O ' HG23 ' A' ' 102' ' ' ILE . 1.2 tp -96.58 98.96 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.418 ' O ' HD13 ' A' ' 104' ' ' ILE . . . -55.22 -166.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.493 HG22 ' H ' ' A' ' 105' ' ' LEU . 2.2 mm -120.07 -141.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.743 . . . . 0.0 109.371 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.493 ' H ' HG22 ' A' ' 104' ' ' ILE . 0.3 OUTLIER -122.54 -151.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.39 179.872 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 107' ' ' GLU . 4.6 pt-20 -37.41 -31.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.284 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -37.41 -54.93 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -85.48 83.7 7.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.525 HG21 HD23 ' A' ' 73' ' ' LEU . 2.2 mp -50.1 -31.41 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 109' ' ' ILE . 74.6 m -38.04 -79.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.951 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -94.64 -50.53 5.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -58.08 -15.39 9.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -101.42 -20.98 12.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 165.18 -134.35 3.29 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.78 148.92 31.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 0.794 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.3 t -121.65 137.93 54.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.435 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.653 HG22 ' HA ' ' A' ' 84' ' ' ALA . 10.3 m -113.81 145.99 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 83.78 42.14 7.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -131.31 170.1 15.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 0.754 . . . . 0.0 110.959 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.7 m95 -143.43 129.21 19.35 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.28 113.14 25.26 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.596 1.185 . . . . 0.0 109.969 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 59.4 p -94.39 -58.03 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -54.19 140.71 31.67 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.576 1.172 . . . . 0.0 109.287 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -174.52 -71.16 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.75 109.54 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.736 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -52.24 110.14 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.143 . . . . 0.0 109.248 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -122.62 142.46 50.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -138.22 92.1 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.93 95.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 12.2 t -95.61 62.87 2.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.83 170.59 2.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -88.43 -68.68 0.75 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.2 -166.06 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.45 143.12 44.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 164.09 178.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.407 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -105.2 41.93 2.03 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.445 1.091 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -96.35 175.41 6.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 0.82 . . . . 0.0 109.35 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.517 ' O ' ' CG ' ' A' ' 138' ' ' PHE . 14.4 p90 -177.5 94.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 15.9 m -151.8 158.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 176.08 126.23 0.94 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.635 1.209 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.45 127.55 9.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.399 0.705 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -173.55 160.24 3.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.5 120.45 6.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -90.3 94.56 9.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -80.27 -53.29 6.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -43.27 129.65 4.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -92.23 -168.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.374 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -179.12 143.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.244 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.24 154.11 24.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.581 ' O ' HD23 ' A' ' 151' ' ' LEU . 0.5 OUTLIER 179.97 147.45 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.622 1.201 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 150' ' ' ASP . 47.9 mt -151.8 179.63 8.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.094 . . . . 0.0 109.368 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 2.3 p -124.16 176.01 6.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.36 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -84.75 -46.08 11.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.92 35.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.447 ' NE ' HD22 ' A' ' 151' ' ' LEU . 15.7 ttp85 -75.69 -35.34 60.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 1.206 HD12 ' CG ' ' A' ' 25' ' ' GLU . 1.3 pt -71.94 -37.45 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.566 ' HG2' ' OE2' ' A' ' 25' ' ' GLU . 17.0 mttt -67.75 -31.46 71.39 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.129 . . . . 0.0 109.207 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 13.6 t -77.18 -52.15 9.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 110.105 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.862 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 30.5 t90 -57.54 -56.45 21.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 108.027 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.878 HG21 ' HB3' ' A' ' 25' ' ' GLU . 35.7 t -50.53 -52.02 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -55.56 -31.14 61.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.56 1.163 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -71.8 -47.84 50.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.862 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -58.93 -54.61 45.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.454 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -64.3 -35.2 80.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.7 t -52.6 -78.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -50.2 -60.22 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 1.033 ' CE2' HD13 ' A' ' 82' ' ' LEU . 16.2 m-30 -46.21 -23.75 0.37 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 111.077 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . 138.75 89.97 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.374 1.046 . . . . 0.0 111.02 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 168' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.377 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -54.86 146.56 17.12 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.786 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -177.79 64.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.449 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -73.92 151.65 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.635 1.209 . . . . 0.0 109.36 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.886 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -141.41 -179.87 18.97 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.557 1.161 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.41 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -143.52 115.85 8.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.23 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.983 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.3 m-85 -125.09 119.7 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.637 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -121.91 179.96 4.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' HA2' HD21 ' A' ' 69' ' ' LEU . . . -117.44 -0.99 18.34 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.551 1.157 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -177.88 145.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.417 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -89.75 159.99 16.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.249 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.8 p -134.16 -84.65 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 110.364 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.85 165.89 0.65 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.56 108.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.78 . . . . 0.0 109.293 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.4 p -136.83 -66.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.588 1.18 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -134.66 -67.86 0.55 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.12 . . . . 0.0 110.365 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.472 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 69.8 m -170.97 64.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.413 1.07 . . . . 0.0 109.954 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 22' ' ' ILE . 95.5 t -55.29 -40.9 58.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.414 1.071 . . . . 0.0 109.245 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.4 -41.48 60.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.22 -29.68 66.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.681 HG23 HD13 ' A' ' 156' ' ' ILE . 1.8 mp -69.52 -55.4 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.612 HD12 ' CG2' ' A' ' 160' ' ' VAL . 6.0 tp -54.91 -43.09 66.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.8 HH21 ' HG ' ' A' ' 33' ' ' LEU . 47.0 mtt180 -58.03 -53.8 54.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.391 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.77 -21.6 66.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 1.19 ' CG ' HD12 ' A' ' 156' ' ' ILE . 2.1 mm-40 -74.85 -48.03 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 110.249 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.449 ' CD1' HD13 ' A' ' 4' ' ' ILE . 1.4 m-85 -55.99 -16.8 5.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.1 -86.17 1.1 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.567 1.167 . . . . 0.0 111.006 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.773 ' CB ' HG22 ' A' ' 30' ' ' VAL . 7.5 m-80 -42.41 163.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.801 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -71.57 -12.1 61.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.786 HG12 ' HA ' ' A' ' 3' ' ' LYS . 2.4 m -49.55 100.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 29' ' ' ASP . 27.9 m -154.37 81.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.556 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 19.9 p -112.03 100.07 8.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.977 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -102.44 165.32 11.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.637 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -58.8 -16.73 18.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 109.603 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.977 ' HB2' HD13 ' A' ' 33' ' ' LEU . 26.2 t0 -39.44 -30.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.612 1.195 . . . . 0.0 109.291 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 36' ' ' VAL . 95.7 t -82.11 52.71 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.582 1.176 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 t -65.78 -10.13 34.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.085 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -5.56 32.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 110.343 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.05 135.13 49.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.46 -172.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.247 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.502 ' CG1' ' HA ' ' A' ' 71' ' ' SER . 15.6 m -65.32 -11.8 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.3 t -54.46 -27.9 40.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 110.365 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.59 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -62.87 -53.13 58.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.983 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.4 pp -73.28 -22.58 60.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.621 ' N ' HD12 ' A' ' 44' ' ' LEU . 60.7 t30 -69.55 -30.86 68.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.527 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 79.5 m-20 -69.33 -38.93 78.43 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.633 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -100.34 121.0 40.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.45 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -88.51 37.15 0.81 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.531 1.145 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.484 ' HB3' ' CG ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -154.57 110.91 3.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.715 HD22 ' CD1' ' A' ' 7' ' ' PHE . 1.2 mp -144.32 164.93 29.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.136 HG21 ' CH2' ' A' ' 159' ' ' TRP . 1.4 mp -121.26 154.01 24.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.614 1.196 . . . . 0.0 109.348 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 7' ' ' PHE . 2.9 pp -142.16 -172.5 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.27 113.88 1.1 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.063 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.517 ' CB ' ' HD3' ' A' ' 55' ' ' PRO . 0.1 OUTLIER 179.32 -58.78 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.517 ' HD3' ' CB ' ' A' ' 54' ' ' CYS . 18.3 Cg_endo -74.99 139.88 24.81 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 14.7 t -101.3 2.18 39.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -162.24 143.24 10.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 107.992 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -178.57 98.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 0.0 109.207 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.509 HG23 ' N ' ' A' ' 60' ' ' GLY . 0.6 OUTLIER -137.84 -54.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.509 ' N ' HG23 ' A' ' 59' ' ' ILE . . . 79.3 -143.72 26.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -120.75 156.19 32.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tp -52.4 -64.55 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.21 93.11 6.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 0.0 110.301 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -165.88 168.34 15.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.924 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.49 95.17 1.32 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.453 1.095 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -116.21 151.13 36.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 108.036 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 169.94 13.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.03 -56.75 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.432 1.083 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.445 HD22 ' OE1' ' A' ' 72' ' ' GLU . 1.3 tp -148.03 -177.9 5.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.292 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -83.06 -24.62 32.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.502 ' HA ' ' CG1' ' A' ' 41' ' ' VAL . 19.2 p -158.38 67.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.929 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.445 ' OE1' HD22 ' A' ' 69' ' ' LEU . 2.5 tt0 -105.13 139.73 39.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.796 HD22 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -55.02 -26.33 36.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.218 -179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.796 ' N ' HD22 ' A' ' 73' ' ' LEU . 5.9 t70 -52.15 -21.92 3.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.187 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.05 -56.98 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.361 1.038 . . . . 0.0 109.269 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.694 HG21 HD11 ' A' ' 44' ' ' LEU . 39.6 t -50.0 142.56 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -81.12 53.67 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.536 ' CD2' ' HG2' ' A' ' 81' ' ' LYS . 1.8 m-85 -49.96 132.36 22.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -140.63 146.99 38.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 39.72 48.37 3.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.449 1.093 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.536 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -117.35 171.65 7.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 0.793 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.277 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.8 pp -110.89 127.15 55.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.479 HG23 ' CD ' ' A' ' 81' ' ' LYS . 2.9 t -127.63 121.05 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.574 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -102.07 162.86 12.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.489 ' CD2' HD11 ' A' ' 52' ' ' ILE . 1.7 t80 -138.11 131.19 30.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 6.9 t80 -100.42 84.08 2.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.018 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.59 156.9 3.24 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 80.5 p -118.6 94.87 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.399 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.52 91.64 1.83 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.087 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -130.5 153.61 48.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.61 68.14 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.234 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 tt -165.51 163.01 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -59.2 174.08 3.69 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.62 162.56 1.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.993 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.35 171.88 14.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -134.95 97.86 3.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 96' ' ' ASP . 1.1 t-20 -40.61 -52.96 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.584 1.178 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -151.05 173.39 14.39 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -175.62 -59.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -162.99 88.73 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.157 . . . . 0.0 109.228 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.71 176.98 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.29 165.95 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -128.81 165.51 21.61 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.435 1.084 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.9 tt -142.04 144.6 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.753 . . . . 0.0 109.375 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.69 161.86 27.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.606 1.191 . . . . 0.0 109.325 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.11 -155.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -135.14 27.46 3.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 110.293 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -122.26 150.97 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.566 HG21 HD23 ' A' ' 73' ' ' LEU . 36.5 mm -51.56 -32.23 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.61 -77.21 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.408 ' NE2' HG22 ' A' ' 116' ' ' THR . 32.5 mm-40 -91.99 -43.45 9.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 1.6 ttt180 -58.64 -42.2 87.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.489 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -62.72 -35.09 91.43 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.429 1.081 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.14 -106.73 0.28 Allowed Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.467 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -123.96 146.56 48.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 0.796 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.408 HG22 ' NE2' ' A' ' 111' ' ' GLN . 10.1 t -119.04 133.52 55.76 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 110.445 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.671 HG11 ' CB ' ' A' ' 166' ' ' GLU . 4.3 m -121.28 139.15 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.071 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 100.87 60.1 0.81 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.595 1.185 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -140.28 162.96 34.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.768 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -145.16 100.0 3.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 77.6 p -52.4 157.83 1.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 9.9 t -151.84 142.84 23.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 110.452 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -131.89 -63.47 0.82 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.396 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -166.88 -141.93 3.29 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -127.35 56.6 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 0.725 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.29 -54.15 1.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.123 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.63 99.14 3.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.568 1.168 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 177.3 113.4 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -129.81 -53.0 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.404 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.18 94.61 5.61 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.459 1.099 . . . . 0.0 110.007 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -48.15 -71.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -169.42 142.4 2.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.53 148.05 37.36 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 -150.01 149.17 29.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -84.93 166.44 16.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 113.1 177.3 19.57 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.412 1.07 . . . . 0.0 111.025 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.2 -171.37 3.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.542 ' O ' ' CD1' ' A' ' 138' ' ' PHE . 11.9 p90 -141.1 132.67 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 76.6 t -135.11 -67.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.408 1.068 . . . . 0.0 109.279 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.26 -123.94 2.53 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.93 143.38 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 0.788 . . . . 0.0 109.394 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -165.72 139.4 4.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.165 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -174.19 132.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -55.28 117.77 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -64.92 -54.8 25.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.55 161.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.27 112.13 19.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -120.84 136.28 54.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.32 140.04 2.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.057 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.45 151.6 31.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.253 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 5.1 mp -141.46 157.85 44.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 154' ' ' ASP . 1.3 m -121.25 158.94 26.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.367 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.88 -31.43 15.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.607 1.192 . . . . 0.0 109.31 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.462 ' N ' HG22 ' A' ' 152' ' ' THR . 19.2 m-20 -88.49 13.12 12.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.428 1.08 . . . . 0.0 109.219 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -32.43 59.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.581 1.176 . . . . 0.0 110.285 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 1.19 HD12 ' CG ' ' A' ' 25' ' ' GLU . 1.0 OUTLIER -69.14 -38.77 78.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -31.04 70.85 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.435 1.085 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.1 m -72.45 -58.66 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.046 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 1.136 ' CH2' HG21 ' A' ' 51' ' ' ILE . 44.4 t90 -55.98 -52.74 63.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 1.003 HG21 ' HB3' ' A' ' 25' ' ' GLU . 45.5 t -51.1 -51.71 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.402 1.064 . . . . 0.0 109.234 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -57.81 -32.07 67.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -66.49 -47.31 73.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.228 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.848 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -63.82 -53.66 47.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -58.03 -33.53 69.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.419 ' O ' HD23 ' A' ' 169' ' ' LEU . 1.0 OUTLIER -59.94 -69.51 0.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.671 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.6 OUTLIER -58.21 -57.45 12.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.411 1.069 . . . . 0.0 110.323 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 1.277 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.9 m-30 -36.84 -49.47 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 157.99 75.01 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 165' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.517 0.775 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -172.54 53.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.749 ' HA ' HG12 ' A' ' 30' ' ' VAL . 1.0 OUTLIER -176.52 68.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.362 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.46 HD12 ' HB ' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -82.77 148.88 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.571 1.169 . . . . 0.0 109.325 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.836 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -137.69 177.63 19.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.435 1.084 . . . . 0.0 110.932 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -135.74 116.29 13.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 0.745 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.108 ' CE2' HD23 ' A' ' 44' ' ' LEU . 6.4 m-85 -128.43 120.54 27.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 111.012 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.746 ' CE2' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -121.79 173.23 7.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.583 ' O ' HG23 ' A' ' 10' ' ' THR . . . -96.38 -14.34 44.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 9' ' ' GLY . 4.8 p -156.87 119.51 4.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.396 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 8.7 pt20 -52.11 142.46 16.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.374 1.046 . . . . 0.0 110.285 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 t -175.81 138.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 177.59 176.41 45.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -89.52 -105.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.592 HG22 ' H ' ' A' ' 16' ' ' GLU . 9.2 m -51.46 178.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.383 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.592 ' H ' HG22 ' A' ' 15' ' ' THR . 0.6 OUTLIER -103.96 12.99 33.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 110.286 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.453 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -139.44 19.62 2.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.053 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.674 ' O ' HG22 ' A' ' 22' ' ' ILE . 31.3 m -56.51 -46.63 82.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 109.4 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -56.83 -29.66 63.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.07 -36.05 64.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.408 1.067 . . . . 0.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.9 mp -69.4 -56.39 11.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 18' ' ' VAL . 4.4 tp -55.25 -38.31 47.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.456 1.098 . . . . 0.0 109.203 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.864 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.72 -54.1 50.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 -179.854 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.1 -19.6 64.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.946 ' HB3' HG21 ' A' ' 160' ' ' VAL . 3.1 mm-40 -76.38 -48.79 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.533 ' CD2' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -56.54 -16.28 5.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.62 -80.54 1.37 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.547 ' CB ' HG22 ' A' ' 30' ' ' VAL . 14.6 m-20 -57.59 -173.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.574 0.808 . . . . 0.0 109.349 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -94.04 -6.29 45.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.749 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -48.13 99.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.864 HG21 ' CG ' ' A' ' 23' ' ' ARG . 2.9 t -155.6 81.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.536 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 67.1 p -109.42 99.67 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.357 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.829 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -98.73 167.2 10.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.746 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -74.22 -5.75 43.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.656 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.829 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.0 m-20 -39.93 -30.23 0.08 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.638 1.211 . . . . 0.0 109.395 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.438 ' N ' ' C ' ' A' ' 34' ' ' HIS . 24.7 m -87.48 46.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -53.9 -19.57 4.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.973 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -5.47 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.79 -171.68 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -107.15 164.19 12.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.678 HG12 ' O ' ' A' ' 71' ' ' SER . 10.5 m -65.12 -12.13 12.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.447 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 7.7 t -54.57 -28.23 44.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.435 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.566 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -57.97 -53.56 56.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.358 1.036 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.108 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.1 pp -77.54 -24.38 49.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.51 ' N ' HD12 ' A' ' 44' ' ' LEU . 52.3 t30 -58.29 -34.84 70.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.571 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 28.3 t70 -77.88 -42.72 32.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -95.22 107.84 19.95 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.517 1.136 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.616 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.9 pt20 -82.02 48.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.347 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.616 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -154.2 113.27 3.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.007 HD22 ' CE1' ' A' ' 7' ' ' PHE . 4.8 mt -143.29 165.28 27.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.608 1.192 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 5' ' ' GLY . 1.9 mp -124.31 150.39 28.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.8 mt -117.44 137.08 52.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.434 1.084 . . . . 0.0 109.34 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.25 60.54 0.3 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.105 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.03 156.91 38.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -70.47 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 110.991 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 t -89.67 157.19 18.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.611 1.195 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.541 ' CZ2' ' HE2' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -102.96 158.05 16.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 107.994 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.68 160.02 38.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.23 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.88 -179.64 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -54.6 143.84 31.09 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.521 ' C ' HD13 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -126.01 162.84 24.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.348 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -150.51 31.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -102.05 165.34 11.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.375 1.047 . . . . 0.0 110.306 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.12 133.45 6.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.99 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 66' ' ' TRP . 0.8 OUTLIER -78.8 -56.97 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.371 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.437 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 31.0 t90 -60.97 98.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.031 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.33 -48.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.07 . . . . 0.0 110.241 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -129.18 -122.4 2.45 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.83 115.55 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 0.743 . . . . 0.0 109.433 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -134.51 96.82 3.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.91 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.678 ' O ' HG12 ' A' ' 41' ' ' VAL . 14.7 p -147.91 51.63 1.04 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.985 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.04 175.94 5.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.918 HD23 HG13 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -49.0 -26.82 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 109.217 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.804 ' N ' HD22 ' A' ' 73' ' ' LEU . 26.1 t0 -54.77 -21.48 11.22 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -76.36 -53.58 7.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.38 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.69 HG21 ' CE1' ' A' ' 78' ' ' PHE . 29.9 m -72.39 162.46 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -105.59 68.05 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.69 ' CE1' HG21 ' A' ' 76' ' ' VAL . 2.3 m-30 -58.35 111.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.17 92.95 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.436 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . 99.21 35.94 4.58 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.548 ' CD ' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -103.09 166.23 10.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.42 0.718 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.005 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -102.61 129.77 49.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -128.8 132.59 67.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.287 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.723 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.04 142.87 32.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -106.12 118.58 36.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.509 ' CG ' ' N ' ' A' ' 87' ' ' GLY . 39.6 p90 -40.48 -47.29 2.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.439 1.087 . . . . 0.0 111.032 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.509 ' N ' ' CG ' ' A' ' 86' ' ' PHE . . . 63.55 81.87 0.1 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.387 1.054 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.5 m -155.99 82.99 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 0.734 . . . . 0.0 110.385 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.44 128.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.407 1.067 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.532 ' OD2' ' CZ2' ' A' ' 120' ' ' TRP . 2.7 p30 -139.97 140.04 36.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -127.88 93.45 3.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.238 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.49 89.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.331 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.24 179.85 45.32 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -131.52 139.61 49.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 0.768 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 52.22 74.32 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.93 128.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -163.59 90.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.393 1.058 . . . . 0.0 109.351 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.13 93.19 0.07 Allowed 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -156.67 119.29 4.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -158.77 88.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -169.94 158.62 7.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.7 tt -144.24 163.43 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.12 -64.56 0.56 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.432 1.083 . . . . 0.0 111.043 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.6 mp -61.73 148.57 9.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.589 0.817 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mp -104.35 152.84 21.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.572 1.17 . . . . 0.0 109.223 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -147.48 -97.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.4 1.062 . . . . 0.0 110.28 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -155.66 65.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.541 ' HE2' ' CZ2' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -163.39 119.01 1.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.269 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.918 HG13 HD23 ' A' ' 73' ' ' LEU . 16.7 mm -51.79 -40.84 28.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.1 t -53.29 -57.07 11.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.384 1.053 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 108' ' ' LYS . 2.1 mt-30 -80.52 -3.83 51.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 108' ' ' LYS . 2.5 tpt180 -74.24 -51.07 16.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.3 126.99 0.91 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.408 1.068 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.436 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 132.14 -131.76 6.4 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.29 146.68 40.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.6 t -123.9 122.46 38.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.464 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.65 ' CG1' ' CE1' ' A' ' 167' ' ' PHE . 7.1 p -111.55 162.66 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.384 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 124.64 61.97 0.18 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -38.27 148.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.532 ' CZ2' ' OD2' ' A' ' 90' ' ' ASP . 0.5 OUTLIER -179.89 89.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.16 118.46 0.79 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.0 t -176.18 134.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -165.82 -77.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.366 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 64.15 79.38 0.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -93.6 142.96 26.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.18 142.91 33.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -123.21 -55.15 1.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -52.71 150.23 5.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.58 168.29 9.37 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.24 158.45 15.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.978 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -105.66 173.24 6.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -105.01 172.52 6.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.99 172.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 154.25 0.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 64.87 135.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 138.64 171.57 12.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -172.55 109.11 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -176.26 165.7 2.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.409 1.068 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 34.9 m -110.04 178.49 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.64 ' O ' HD12 ' A' ' 141' ' ' LEU . . . -170.13 174.97 44.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.618 1.199 . . . . 0.0 110.982 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.64 HD12 ' O ' ' A' ' 140' ' ' GLY . 0.8 OUTLIER -165.25 148.76 8.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 0.719 . . . . 0.0 109.349 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -172.75 157.63 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -177.77 125.38 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -110.44 94.03 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -57.62 -38.43 74.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.413 1.071 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.55 143.05 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -140.28 -172.42 3.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.85 169.24 20.13 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.25 -162.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.182 . . . . 0.0 110.043 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.7 -174.44 4.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.91 -171.31 3.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.498 ' CG2' ' OD2' ' A' ' 154' ' ' ASP . 3.4 t -170.56 165.36 8.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.46 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.73 -15.89 31.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.498 ' OD2' ' CG2' ' A' ' 152' ' ' THR . 4.6 p-10 -93.01 27.92 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -50.08 15.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.9 -40.93 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.561 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 12.6 pttt -65.01 -31.01 72.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 8.3 t -74.31 -60.66 2.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.002 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.863 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 28.2 t90 -53.14 -57.35 10.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.946 HG21 ' HB3' ' A' ' 25' ' ' GLU . 69.8 t -50.52 -51.76 18.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.561 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -54.76 -31.61 58.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.645 1.215 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -71.85 -49.28 39.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.349 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.863 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -58.1 -53.65 55.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.533 ' HD3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -63.85 -35.2 79.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.59 1.181 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -52.56 -76.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 117' ' ' VAL . 14.9 mt-10 -51.89 -61.35 2.31 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.633 1.208 . . . . 0.0 110.222 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 1.005 ' CE1' HD13 ' A' ' 82' ' ' LEU . 15.9 m-30 -44.7 -25.1 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . 129.25 84.22 0.38 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.387 1.054 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 164' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -121.11 137.36 54.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.909 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -175.06 73.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.636 HD13 ' CE1' ' A' ' 26' ' ' PHE . 1.1 mp -84.59 149.07 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.618 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -135.28 171.6 22.46 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.55 116.37 15.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.056 ' CE2' HD23 ' A' ' 44' ' ' LEU . 8.5 m-85 -125.69 128.8 48.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.986 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.648 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -128.33 179.95 5.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 110.991 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.4 -64.81 0.68 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.3 p -138.87 115.95 10.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.535 0.785 . . . . 0.0 110.396 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -155.24 175.09 14.3 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.347 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.5 p -140.42 -167.13 2.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.3 167.37 31.86 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.594 1.184 . . . . 0.0 111.045 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.57 -73.99 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 0.75 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.0 p -52.16 -174.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -38.84 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.295 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.486 ' O ' HD12 ' A' ' 21' ' ' ILE . 1.0 OUTLIER -170.97 106.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.931 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.836 ' O ' HG22 ' A' ' 22' ' ' ILE . 95.3 t -55.41 -47.24 78.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.67 -33.27 33.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.99 -39.4 69.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.421 1.076 . . . . 0.0 110.332 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.872 HG22 HG21 ' A' ' 156' ' ' ILE . 2.5 mp -66.51 -56.98 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.194 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.936 ' CD1' HG22 ' A' ' 160' ' ' VAL . 2.4 tp -55.9 -33.13 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.94 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.69 -54.28 44.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.627 1.204 . . . . 0.0 110.273 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.12 -40.42 97.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.627 1.204 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.791 ' HB3' HG21 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -57.17 -49.74 75.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.327 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.636 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.6 OUTLIER -49.75 -21.28 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.99 67.27 2.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.568 1.168 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.777 ' HB3' HG22 ' A' ' 30' ' ' VAL . 2.5 t30 170.62 -158.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 0.739 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -111.3 -18.53 12.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.397 1.06 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.909 HG12 ' HA ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -48.43 99.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.94 HG21 ' CG ' ' A' ' 23' ' ' ARG . 3.0 t -156.13 81.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.564 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 51.0 p -112.72 99.41 7.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.897 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -94.69 164.78 12.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.648 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -76.76 -0.68 24.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.596 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.897 ' HB2' HD13 ' A' ' 33' ' ' LEU . 2.8 m-20 -39.25 -30.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.483 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.6 m -84.6 50.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -60.69 -14.37 20.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -71.23 -5.43 31.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.35 -171.58 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -101.44 168.32 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 110.289 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.597 ' CG2' ' CG1' ' A' ' 76' ' ' VAL . 5.8 m -64.22 -12.83 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.432 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 15.5 p -54.19 -29.84 47.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 110.411 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.516 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -57.4 -53.5 57.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.261 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.056 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.5 pp -77.2 -23.46 51.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.621 ' N ' HD12 ' A' ' 44' ' ' LEU . 41.0 t30 -62.7 -31.14 71.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.243 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.95 -40.62 68.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.634 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -95.39 118.3 31.89 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.528 1.142 . . . . 0.0 111.108 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.477 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 3.6 mt-30 -84.63 40.88 0.82 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.844 ' C ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -155.12 113.47 3.49 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.073 . . . . 0.0 110.955 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.844 HD22 ' C ' ' A' ' 49' ' ' TYR . 3.8 mm? -141.56 162.91 34.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 5' ' ' GLY . 2.8 mp -118.1 148.3 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.9 mm -112.3 119.43 60.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -116.19 77.92 0.28 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -138.97 94.21 10.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.24 6.0 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.423 1.749 . . . . 0.0 111.009 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -91.49 -169.84 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.36 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -174.86 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 107.997 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -55.47 160.21 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.4 mp -105.51 140.32 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.2 110.21 3.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.587 1.18 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -164.12 -52.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.766 . . . . 0.0 110.316 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 mp -97.85 177.32 5.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.26 143.27 32.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m -179.95 143.56 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.017 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -157.71 129.55 6.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.9 m95 -125.6 79.57 1.83 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -128.31 158.95 36.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -178.96 73.6 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 111.085 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.538 HD23 ' H ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -179.87 160.68 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 0.75 . . . . 0.0 109.238 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.538 ' H ' HD23 ' A' ' 69' ' ' LEU . 3.8 p90 -137.99 61.03 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.587 ' O ' HG12 ' A' ' 41' ' ' VAL . 3.9 p -179.96 47.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.934 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.88 156.9 17.89 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.798 HD22 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -53.61 -25.58 18.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.798 ' N ' HD22 ' A' ' 73' ' ' LEU . 17.7 t0 -68.16 -20.54 64.89 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -80.09 -63.57 1.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.715 HG21 ' CE1' ' A' ' 78' ' ' PHE . 7.7 m -40.31 152.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.308 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -88.51 44.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.715 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.9 m-30 -38.02 134.68 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -139.29 124.21 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.417 1.073 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 49.61 66.16 2.42 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.619 ' HG2' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -128.77 171.44 12.23 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.489 0.758 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.26 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.9 OUTLIER -106.19 135.35 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.245 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.482 ' CG2' ' HE3' ' A' ' 81' ' ' LYS . 1.0 OUTLIER -135.27 121.36 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.744 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.91 119.84 39.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CE2' ' CE2' ' A' ' 119' ' ' TYR . 13.2 t80 -97.97 123.49 42.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.601 1.188 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -71.94 138.26 47.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.945 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 177.01 88.11 0.07 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 34.4 p -60.45 136.27 58.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.448 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.76 93.79 1.67 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.05 114.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 0.77 . . . . 0.0 109.257 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -136.01 135.45 39.49 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.495 HG23 ' N ' ' A' ' 93' ' ' GLY . 0.6 OUTLIER -150.5 -56.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.495 ' N ' HG23 ' A' ' 92' ' ' ILE . . . 132.82 -107.33 0.69 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.545 1.153 . . . . 0.0 110.961 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.4 ' N ' ' CD1' ' A' ' 94' ' ' TYR . 14.8 p90 -144.37 51.67 1.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -147.8 82.68 1.51 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.539 1.149 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.78 113.03 16.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.242 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.9 159.53 16.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.242 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -172.79 134.15 0.6 Allowed 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -135.45 -58.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.617 1.198 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.95 154.05 10.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -119.22 97.29 5.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.076 . . . . 0.0 109.25 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.5 mt -97.71 101.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.464 1.103 . . . . 0.0 109.268 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -114.83 157.63 14.86 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.509 1.131 . . . . 0.0 110.953 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 104' ' ' ILE . 14.7 tt -72.46 89.01 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.579 0.811 . . . . 0.0 109.248 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.524 HD23 ' H ' ' A' ' 105' ' ' LEU . 0.7 OUTLIER -40.44 146.55 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.79 -67.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.12 -40.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 110.238 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -42.01 141.77 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.458 HG22 ' HZ1' ' A' ' 81' ' ' LYS . 1.1 mp -53.03 -52.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.564 ' HB3' HG21 ' A' ' 116' ' ' THR . 53.9 m -58.76 -40.31 83.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -86.67 11.61 12.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.371 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -54.94 2.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.075 . . . . 0.0 110.351 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.494 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -178.08 98.12 0.11 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.117 . . . . 0.0 111.036 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 159.82 169.17 22.79 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.62 146.5 31.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 0.812 . . . . 0.0 109.355 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.564 HG21 ' HB3' ' A' ' 110' ' ' SER . 81.3 p -117.39 122.44 43.83 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.574 1.171 . . . . 0.0 110.433 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.744 HG22 ' HA ' ' A' ' 84' ' ' ALA . 11.8 m -107.17 142.89 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 90.2 5.22 70.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.55 ' CE2' ' CE2' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -131.48 -61.89 0.89 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 0.745 . . . . 0.0 110.972 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -75.71 158.44 32.3 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.46 91.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 110.064 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 35.2 p -83.19 155.31 23.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.362 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -172.06 147.41 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 149.76 56.19 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 126' ' ' ASP . 57.5 t80 -172.32 162.71 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.445 ' O ' ' CD2' ' A' ' 125' ' ' TYR . 14.8 t0 -87.01 154.08 21.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -104.89 -54.34 2.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 111.033 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -178.7 162.09 1.33 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -149.68 108.09 3.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 60.1 p -72.75 155.01 40.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.928 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -168.09 113.15 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -101.69 56.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -122.8 161.95 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.363 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.72 33.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -163.45 96.8 0.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -132.91 128.38 5.1 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.61 1.194 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.507 ' HB3' ' CD1' ' A' ' 138' ' ' PHE . 0.2 OUTLIER -91.11 -65.72 0.99 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.507 ' CD1' ' HB3' ' A' ' 137' ' ' LYS . 24.9 p90 -174.92 -43.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 111.065 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.422 ' N ' ' CD2' ' A' ' 138' ' ' PHE . 18.2 t -140.82 146.38 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.393 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 159.75 89.1 0.07 OUTLIER Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.58 1.175 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.07 144.15 0.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 0.717 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.19 162.6 23.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.4 mp -134.11 128.84 34.98 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -64.9 111.71 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -59.57 4.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.419 1.075 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.37 107.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -138.8 126.86 22.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.247 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -87.12 118.46 26.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.48 164.13 24.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -122.72 162.87 21.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.58 155.41 25.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 16.9 p -96.04 169.91 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.405 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.17 -50.88 4.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.463 ' HB3' ' CD ' ' A' ' 157' ' ' LYS . 46.9 m-20 -78.91 55.93 1.84 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -55.85 -40.74 73.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 110.368 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.872 HG21 HG22 ' A' ' 21' ' ' ILE . 1.6 mp -56.48 -52.54 51.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.463 ' CD ' ' HB3' ' A' ' 154' ' ' ASP . 26.5 mtpt -48.52 -43.01 34.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.705 ' O ' ' HB3' ' A' ' 161' ' ' ALA . 8.1 t -57.44 -64.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.186 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.918 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 32.8 t90 -46.3 -57.93 4.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 108.029 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.936 HG22 ' CD1' ' A' ' 22' ' ' ILE . 87.3 t -50.0 -31.26 7.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 158' ' ' SER . . . -68.48 -33.99 75.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.813 ' HG2' HD23 ' A' ' 163' ' ' LEU . 1.9 pt20 -74.58 -39.2 62.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.918 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 4.6 mt -60.85 -54.09 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.448 ' NZ ' ' HA ' ' A' ' 164' ' ' LYS . 0.2 OUTLIER -61.52 -35.02 76.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.319 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.1 -64.85 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.528 ' HB2' HG11 ' A' ' 117' ' ' VAL . 0.7 OUTLIER -67.43 -54.53 19.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 1.26 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.5 m-30 -35.74 -52.62 0.71 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -86.17 -72.62 1.29 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.748 . . . . 0.0 109.247 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.93 151.87 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.539 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.7 OUTLIER 179.81 70.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.802 HD13 ' CD1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -73.93 135.43 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.97 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -138.06 -179.92 17.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.571 HD13 HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -140.61 116.3 10.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 0.726 . . . . 0.0 109.319 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.88 ' CE2' HD23 ' A' ' 44' ' ' LEU . 9.6 m-85 -121.11 143.9 48.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.574 1.171 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -138.18 123.43 19.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -38.96 -29.33 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -168.09 167.95 12.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 110.421 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -103.1 174.12 6.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -150.09 35.41 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 67.99 147.81 0.15 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.477 1.11 . . . . 0.0 111.029 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -175.84 144.84 0.64 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 0.801 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -131.91 79.77 1.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.471 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HB3' HG13 ' A' ' 18' ' ' VAL . 1.3 tt0 -179.97 151.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.227 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.4 p -99.91 57.9 1.0 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.652 1.22 . . . . 0.0 110.012 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.751 ' O ' HG22 ' A' ' 22' ' ' ILE . 35.6 m -62.42 -38.16 80.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.61 -31.87 26.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.94 -39.97 65.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 21' ' ' ILE . 1.7 mp -66.69 -56.27 14.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.316 ' CD1' HG22 ' A' ' 160' ' ' VAL . 4.2 tp -57.1 -33.41 42.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.522 ' CG ' HG21 ' A' ' 31' ' ' VAL . 1.6 tmt_? -62.98 -53.84 47.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.301 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.12 -34.76 64.0 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.525 1.141 . . . . 0.0 109.247 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 1.059 ' CB ' HG11 ' A' ' 160' ' ' VAL . 63.4 mm-40 -65.79 -49.73 67.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.913 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -53.68 -18.76 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.16 64.51 4.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.762 ' HB3' HG22 ' A' ' 30' ' ' VAL . 9.0 m-20 169.99 -172.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.774 . . . . 0.0 109.259 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -98.86 -16.14 18.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.221 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.762 HG22 ' HB3' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -47.94 99.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.236 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.522 HG21 ' CG ' ' A' ' 23' ' ' ARG . 53.1 t -156.19 85.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.535 ' O ' ' HA3' ' A' ' 5' ' ' GLY . 7.7 p -113.13 99.43 7.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.649 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -104.02 166.51 10.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.387 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 36' ' ' VAL . 0.8 OUTLIER -59.9 -15.49 21.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.575 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.502 ' HB2' HD13 ' A' ' 33' ' ' LEU . 9.1 m-20 -37.35 -33.01 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.415 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 33' ' ' LEU . 5.9 m -81.22 53.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 109.233 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.1 t -63.64 -11.1 22.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -5.68 32.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -115.98 -171.52 2.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.354 1.034 . . . . 0.0 109.286 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' C ' ' OG ' ' A' ' 71' ' ' SER . 6.4 mt-10 -115.02 -175.14 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.361 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.763 HG12 ' C ' ' A' ' 71' ' ' SER . 2.4 m -65.74 -11.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -58.48 -27.48 64.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.542 1.151 . . . . 0.0 110.432 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.464 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -68.74 -54.64 14.89 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.88 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.3 pp -62.68 -27.46 69.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.55 ' N ' HD12 ' A' ' 44' ' ' LEU . 10.3 t30 -74.5 -30.96 62.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -64.04 -39.23 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.65 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.63 145.81 28.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.508 ' CB ' ' HB3' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -107.79 39.1 2.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.225 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -155.4 113.63 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.003 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.634 HD23 ' CA ' ' A' ' 5' ' ' GLY . 46.9 mt -151.74 165.03 35.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.97 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.1 mp -130.29 153.96 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 mt -125.42 157.89 34.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.63 26.23 2.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.112 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.1 p -154.92 158.21 32.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 151.07 38.78 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.589 1.836 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.6 p -125.02 -42.12 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 13.1 p90 -44.9 110.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.035 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -150.01 107.62 3.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.8 tp -57.2 135.63 20.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.573 1.171 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.59 99.63 0.13 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -178.47 69.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.612 0.831 . . . . 0.0 110.264 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -142.72 -66.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -88.04 162.46 16.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.598 1.186 . . . . 0.0 110.269 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -58.32 133.94 56.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.968 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -117.88 144.38 45.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.4 m0 -124.45 -48.94 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 107.941 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.47 133.43 45.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.47 -131.06 5.31 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.515 1.134 . . . . 0.0 111.061 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.607 HD11 ' OD1' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -118.58 -171.03 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 0.699 . . . . 0.0 109.285 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -88.1 -70.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.763 ' C ' HG12 ' A' ' 41' ' ' VAL . 10.4 t -179.93 41.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 74' ' ' ASP . 16.1 mp0 -105.0 166.36 10.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.983 HD23 ' CG1' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -44.69 -26.98 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.613 ' H ' HD13 ' A' ' 73' ' ' LEU . 1.0 OUTLIER -51.31 -22.05 2.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.521 ' HB3' HG11 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -100.26 -44.65 5.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.804 HG11 ' CE1' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -54.08 -171.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.598 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.0 p-10 -145.81 66.77 1.21 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.804 ' CE1' HG11 ' A' ' 76' ' ' VAL . 6.2 m-30 -61.49 113.54 2.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.451 ' N ' ' HD3' ' A' ' 81' ' ' LYS . 1.8 m-80 -129.72 61.9 1.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.94 58.67 0.08 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.841 ' O ' ' HA3' ' A' ' 114' ' ' GLY . 0.0 OUTLIER -147.14 169.44 19.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.392 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.876 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -96.36 128.17 43.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.756 ' O ' ' HA ' ' A' ' 116' ' ' THR . 0.0 OUTLIER -131.59 123.29 52.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 1.055 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.93 162.4 12.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.662 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 0.3 OUTLIER -129.08 130.65 46.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 110.931 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.747 ' CD2' ' CH2' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -76.34 132.34 39.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -125.53 91.02 0.39 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.135 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 88' ' ' THR . 9.5 t -107.3 58.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 110.4 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.85 107.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -157.91 145.93 18.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.591 0.818 . . . . 0.0 109.272 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.58 HE21 ' HB2' ' A' ' 121' ' ' SER . 0.3 OUTLIER -170.97 103.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.197 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.52 120.3 50.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.088 . . . . 0.0 109.284 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 39.66 -155.34 0.03 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.495 1.122 . . . . 0.0 110.955 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.496 ' O ' ' CG ' ' A' ' 94' ' ' TYR . 2.3 p90 -161.14 127.6 3.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.539 0.788 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -179.34 121.73 0.08 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -82.16 138.18 34.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.1 p30 -108.17 162.12 14.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -48.94 168.05 0.03 OUTLIER 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -157.02 -54.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 110.327 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -42.11 -51.63 4.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -134.43 128.67 33.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -157.5 -48.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.24 72.84 1.25 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.64 ' C ' HD23 ' A' ' 105' ' ' LEU . 18.7 pt -129.55 132.2 66.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.64 HD23 ' C ' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -169.72 -42.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -111.2 84.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.37 -74.28 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 110.294 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 150.74 30.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.983 ' CG1' HD23 ' A' ' 73' ' ' LEU . 1.7 mp -51.81 -52.62 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.445 ' CB ' ' HB ' ' A' ' 116' ' ' THR . 0.7 OUTLIER -55.57 -62.12 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.065 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -54.1 -19.41 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 110.308 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -75.37 -42.57 53.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.417 ' HA3' ' C ' ' A' ' 79' ' ' ASN . . . 173.44 127.41 0.98 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.841 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 119.09 -140.27 14.95 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.65 154.56 41.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 0.808 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.756 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -122.55 147.32 46.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.573 1.17 . . . . 0.0 110.373 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 1.055 HG22 ' HA ' ' A' ' 84' ' ' ALA . 5.9 m -135.84 152.73 31.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 116.82 48.96 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.442 1.089 . . . . 0.0 110.983 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -38.38 158.12 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.573 0.808 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.43 -160.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 107.983 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.58 ' HB2' HE21 ' A' ' 91' ' ' GLN . 48.8 m -128.8 131.23 47.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 28.7 p -149.4 -73.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.7 134.52 57.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 137.99 98.95 0.48 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -116.59 170.39 8.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.543 0.79 . . . . 0.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.52 158.75 16.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -54.81 166.88 0.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.418 1.074 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -109.46 156.58 19.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -109.46 144.73 37.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.351 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 36.3 p -66.43 158.32 29.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.038 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.62 -48.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.916 ' HB1' ' HE2' ' A' ' 137' ' ' LYS . . . -60.87 -173.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.94 -63.48 0.47 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -171.37 105.52 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 40.2 t30 176.66 51.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 39.81 86.2 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.916 ' HE2' ' HB1' ' A' ' 132' ' ' ALA . 0.0 OUTLIER -171.99 179.6 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 109.239 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.442 ' C ' HG13 ' A' ' 139' ' ' VAL . 0.4 OUTLIER -176.55 92.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.442 HG13 ' C ' ' A' ' 138' ' ' PHE . 34.6 m -154.74 163.3 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.36 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 177.28 151.51 9.18 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 30.1 mt -94.11 165.48 12.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.606 0.827 . . . . 0.0 109.262 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -94.88 170.18 9.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.0 mt -142.03 -175.77 4.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.91 55.5 2.95 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.396 1.06 . . . . 0.0 109.268 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.08 -58.33 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.333 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.93 141.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -109.55 174.01 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.237 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.9 163.11 0.21 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 110.303 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.8 m -129.89 142.65 50.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.37 147.8 24.85 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.599 1.187 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -62.05 -172.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.434 1.084 . . . . 0.0 109.283 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.675 HG22 ' H ' ' A' ' 154' ' ' ASP . 96.0 m -131.38 154.68 48.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 110.385 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -82.12 -27.84 32.58 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.417 1.073 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.675 ' H ' HG22 ' A' ' 152' ' ' THR . 1.8 p30 -92.99 24.55 3.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.529 1.143 . . . . 0.0 109.233 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -75.89 -56.53 4.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.519 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.7 OUTLIER -52.32 -44.95 43.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -31.04 71.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 161' ' ' ALA . 0.4 OUTLIER -61.79 -71.76 0.14 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.034 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.87 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 17.7 t90 -46.23 -51.08 15.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 108.01 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 1.316 HG22 ' CD1' ' A' ' 22' ' ' ILE . 33.1 t -51.37 -40.61 24.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -69.31 -31.59 70.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -65.57 -46.05 80.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.363 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.87 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.2 OUTLIER -71.84 -54.22 10.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.913 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -53.71 -39.85 65.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 12.8 m -61.92 -74.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.042 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.726 ' CB ' HG11 ' A' ' 117' ' ' VAL . 4.2 mm-40 -46.04 -61.92 1.55 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.964 ' CZ ' ' HB2' ' A' ' 84' ' ' ALA . 13.1 m-30 -37.53 -60.27 0.71 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -178.47 79.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.534 1.146 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 169' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.609 ' HG2' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -42.17 147.4 0.24 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.64 71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.966 HD12 HG11 ' A' ' 30' ' ' VAL . 1.1 mt -97.56 137.85 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.913 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -136.9 -175.77 13.98 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.22 117.18 8.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.752 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.9 m-85 -125.24 127.07 46.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.615 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.6 OUTLIER -122.57 179.78 4.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 111.036 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.33 -50.41 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.406 1.066 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.6 t -103.57 174.29 5.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 0.822 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -95.52 137.08 35.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.1 p -147.61 -59.66 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.357 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.4 167.99 52.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.432 1.082 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.87 177.07 2.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.212 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 16' ' ' GLU . 41.9 p -59.33 -67.33 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.423 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -145.21 116.19 7.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.4 1.062 . . . . 0.0 110.372 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.97 -66.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.025 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.937 ' O ' HG22 ' A' ' 22' ' ' ILE . 10.9 m -55.27 -37.3 43.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -57.44 -33.29 67.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.08 -37.96 66.59 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.923 HG22 HG21 ' A' ' 156' ' ' ILE . 2.4 mp -66.69 -56.36 14.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.986 ' CD1' HG22 ' A' ' 160' ' ' VAL . 2.6 tp -55.07 -36.95 40.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.651 ' CG ' HG21 ' A' ' 31' ' ' VAL . 3.6 tmt_? -59.2 -53.99 51.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -62.01 -40.88 97.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.871 ' OE2' ' HE2' ' A' ' 157' ' ' LYS . 65.1 mm-40 -57.62 -49.92 74.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.335 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.623 ' HE1' HD13 ' A' ' 4' ' ' ILE . 0.7 OUTLIER -55.21 -17.61 4.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 111.073 179.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.7 45.6 93.16 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.402 1.064 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -173.48 155.9 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -70.34 -7.78 45.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.966 HG11 HD12 ' A' ' 4' ' ' ILE . 2.2 t -55.71 100.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.591 1.182 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.71 ' O ' HG12 ' A' ' 31' ' ' VAL . 2.8 t -156.44 81.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.59 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 20.5 p -108.3 98.92 8.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.185 . . . . 0.0 110.425 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.81 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -95.24 164.09 12.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.615 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -78.57 2.4 19.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.651 -179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.81 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.8 m-20 -37.9 -32.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.654 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.4 m -83.38 51.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 p -60.46 -13.92 16.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -5.6 31.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -104.92 -171.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.15 167.89 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.234 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.618 HG11 ' N ' ' A' ' 71' ' ' SER . 4.1 m -65.41 -11.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 p -53.77 -27.49 29.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.404 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -67.56 -53.51 27.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.752 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.5 pp -68.45 -22.87 64.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.557 ' N ' HD12 ' A' ' 44' ' ' LEU . 43.7 t30 -75.19 -30.72 60.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.567 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 12.3 t0 -63.85 -40.14 95.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.274 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.625 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -100.65 143.68 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 111.047 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.512 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.8 OUTLIER -107.7 40.04 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.512 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -155.83 113.23 3.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.924 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.678 HD23 ' CA ' ' A' ' 5' ' ' GLY . 26.7 mt -149.57 165.58 31.81 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.103 HG21 ' CH2' ' A' ' 159' ' ' TRP . 3.6 mp -127.3 158.6 38.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.501 HG22 ' H ' ' A' ' 53' ' ' GLY . 2.3 mt -130.92 170.63 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.501 ' H ' HG22 ' A' ' 52' ' ' ILE . . . -157.2 52.68 0.41 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.579 1.175 . . . . 0.0 111.014 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.85 153.77 89.08 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -59.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.403 1.738 . . . . 0.0 110.952 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.1 m -70.85 99.72 1.8 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 110.432 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 57.6 t-105 -154.23 80.2 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -124.66 -57.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.21 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.7 pt -129.39 178.85 4.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.226 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 170.53 78.98 0.04 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.49 1.119 . . . . 0.0 111.062 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.5 93.6 2.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.739 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 mt -177.31 159.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.277 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -43.56 132.0 4.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.5 162.42 14.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.935 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.89 113.65 6.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -50.76 120.64 4.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 108.052 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -156.93 74.24 0.79 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.087 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.91 140.92 11.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' SER . 7.6 mp -104.6 134.46 47.73 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.41 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 63.9 m-85 -39.67 95.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.618 ' N ' HG11 ' A' ' 41' ' ' VAL . 83.7 p 179.95 -38.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -105.28 151.02 24.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -57.17 -26.11 60.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -66.6 -20.97 66.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 70' ' ' TYR . 18.1 t70 -78.57 -63.08 1.49 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.68 HG21 ' CE1' ' A' ' 78' ' ' PHE . 13.7 m -44.38 150.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.329 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -86.34 47.27 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.5 m-30 -38.81 105.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.09 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.473 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.8 OUTLIER -63.62 -151.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.646 1.216 . . . . 0.0 109.235 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.453 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . -67.01 57.58 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.377 1.048 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HD3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -93.2 171.39 8.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.352 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.25 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -100.84 138.73 37.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.48 ' CG2' ' HE2' ' A' ' 81' ' ' LYS . 0.5 OUTLIER -140.24 121.17 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.764 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.92 157.34 16.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.589 ' O ' ' NE1' ' A' ' 159' ' ' TRP . 0.1 OUTLIER -130.08 134.17 47.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.393 1.058 . . . . 0.0 111.022 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.574 ' HA ' ' NE1' ' A' ' 159' ' ' TRP . 0.1 OUTLIER -84.51 146.74 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 111.053 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.4 86.52 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.4 m -98.29 -59.94 1.65 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 110.395 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.98 -119.75 9.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.8 178.15 6.74 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.573 0.807 . . . . 0.0 109.262 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -108.76 48.77 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 110.313 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.5 pt -131.51 176.09 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -110.94 151.42 17.7 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.456 1.098 . . . . 0.0 111.016 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.27 151.41 26.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 0.799 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -53.33 177.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.06 163.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -90.5 174.35 7.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -85.44 164.61 17.78 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -96.65 -58.88 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.608 1.193 . . . . 0.0 110.291 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -62.75 143.71 57.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -108.89 173.71 6.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.406 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -123.73 111.82 30.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -137.34 47.23 0.96 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 21.2 mt -105.32 149.49 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.766 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.57 141.76 24.66 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.631 1.207 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 179.99 131.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -38.86 105.8 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.426 1.079 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -176.64 124.5 0.16 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.449 1.093 . . . . 0.0 109.36 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.7 mp -51.83 -33.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.387 1.054 . . . . 0.0 109.356 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.78 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.441 ' HG3' ' CG2' ' A' ' 116' ' ' THR . 1.4 mt-30 -92.0 -46.66 7.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 110.258 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 4.3 tpt180 -58.97 -15.77 14.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 79' ' ' ASN . . . -108.46 27.15 14.32 Favored Glycine 0 CA--C 1.532 1.147 0 O-C-N 124.393 1.058 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.453 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 112.5 -118.06 4.53 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.624 0.838 . . . . 0.0 111.024 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -119.17 147.78 43.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 0.796 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.441 ' CG2' ' HG3' ' A' ' 111' ' ' GLN . 4.0 t -131.93 137.52 47.99 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.419 1.074 . . . . 0.0 110.403 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 84' ' ' ALA . 10.2 m -125.08 142.83 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.97 70.4 0.13 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.43 1.081 . . . . 0.0 111.082 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -159.97 142.44 13.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.626 0.839 . . . . 0.0 110.998 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -153.65 133.09 12.83 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.59 -62.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.1 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.419 HG23 ' H ' ' A' ' 122' ' ' THR . 66.3 p -42.14 156.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 110.382 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -157.07 -57.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.309 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 101.8 -58.53 0.62 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -39.79 -51.37 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 0.811 . . . . 0.0 111.052 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.33 118.64 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 109.366 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -116.34 -54.67 2.45 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 51.41 92.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.359 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -177.06 93.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.14 164.58 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.915 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.3 151.54 31.94 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.05 148.07 32.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.1 mt -128.26 -63.9 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 140.81 57.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -179.88 146.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -171.54 57.53 0.17 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -69.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 0.717 . . . . 0.0 109.383 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.64 166.25 14.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 33.3 m -66.35 161.68 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.45 ' O ' HD22 ' A' ' 141' ' ' LEU . . . 169.78 98.13 0.11 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.563 1.164 . . . . 0.0 111.0 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.45 HD22 ' O ' ' A' ' 140' ' ' GLY . 0.3 OUTLIER -137.66 128.03 26.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.537 0.787 . . . . 0.0 109.353 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -131.04 122.2 26.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -121.96 150.69 41.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -112.58 57.03 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.79 -56.48 17.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 110.3 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -47.31 100.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -136.08 137.97 41.61 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -166.59 134.06 2.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 19.1 t -174.08 154.97 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.934 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.97 140.45 0.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.58 129.49 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.412 HG23 ' OD2' ' A' ' 154' ' ' ASP . 1.7 m -164.45 135.93 4.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -67.3 -49.39 64.41 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.412 ' OD2' HG23 ' A' ' 152' ' ' THR . 6.9 p-10 -70.31 60.85 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.531 ' HG2' HD13 ' A' ' 156' ' ' ILE . 9.6 ttm180 -75.79 -56.34 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.244 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.923 HG21 HG22 ' A' ' 21' ' ' ILE . 1.2 mm -70.62 -41.24 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.871 ' HE2' ' OE2' ' A' ' 25' ' ' GLU . 6.1 mttt -59.35 -31.35 69.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.0 t -74.34 -66.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.057 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 1.103 ' CH2' HG21 ' A' ' 51' ' ' ILE . 50.7 t90 -44.06 -53.02 6.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 107.942 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.986 HG22 ' CD1' ' A' ' 22' ' ' ILE . 13.7 t -51.2 -51.85 21.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.54 -32.29 62.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.3 -44.76 74.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.422 1.076 . . . . 0.0 110.307 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.845 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -65.35 -53.73 39.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.242 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.619 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -59.51 -33.28 71.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -67.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.721 ' CB ' HG11 ' A' ' 117' ' ' VAL . 1.6 tp10 -60.67 -57.48 12.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 110.345 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 1.25 ' CE1' HD13 ' A' ' 82' ' ' LEU . 11.0 m-30 -37.57 -61.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.75 -75.63 0.65 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.476 0.75 . . . . 0.0 109.287 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.529 ' CB ' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -111.18 -175.89 2.82 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.78 ' HG3' HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -175.31 48.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.682 HG23 ' HB2' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -73.69 161.26 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.594 1.184 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.559 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -169.86 -144.52 4.32 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -153.78 127.86 9.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.231 -179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.899 ' CE2' HD23 ' A' ' 44' ' ' LEU . 8.5 m-85 -126.14 141.93 51.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 111.064 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.627 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -132.98 166.5 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 110.956 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.97 -61.9 2.45 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.9 p -137.83 95.43 3.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 110.42 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.72 171.2 15.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.4 p -148.42 -54.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 110.43 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.18 -120.02 6.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.593 1.183 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -105.51 155.17 19.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.1 p -48.63 -55.94 9.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.41 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -179.95 77.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.476 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -121.32 -78.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 m -55.31 -36.61 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.55 -45.76 63.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -34.74 77.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -61.3 -56.68 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.923 HD11 HG23 ' A' ' 160' ' ' VAL . 6.8 tp -54.83 -42.15 61.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.881 ' HG3' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -51.77 -51.41 56.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' N ' ' CD ' ' A' ' 23' ' ' ARG . 35.6 t0 -63.94 -37.48 87.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.557 ' HB3' HG11 ' A' ' 160' ' ' VAL . 59.0 mm-40 -58.38 -49.99 75.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.629 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 1.7 m-85 -49.7 -21.58 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.19 -46.29 2.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.518 ' CB ' HG22 ' A' ' 30' ' ' VAL . 1.8 m120 -90.83 -172.14 3.26 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.405 0.709 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.898 ' O ' HG12 ' A' ' 31' ' ' VAL . 28.4 t0 -95.8 0.55 52.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.529 HG11 ' CB ' ' A' ' 2' ' ' LYS . 1.6 m -59.52 99.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.358 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.898 HG12 ' O ' ' A' ' 29' ' ' ASP . 0.7 OUTLIER -155.68 98.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.78 HG21 ' HG3' ' A' ' 3' ' ' LYS . 11.4 p -129.56 99.1 5.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.66 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -104.63 158.32 16.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.426 ' C ' ' N ' ' A' ' 36' ' ' VAL . 37.5 p-80 -39.21 -30.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.596 1.185 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -39.09 -31.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 33' ' ' LEU . 31.5 m -79.9 55.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.709 ' HB2' HD21 ' A' ' 69' ' ' LEU . 1.2 p -71.89 -4.99 31.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -5.47 32.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.527 ' HB1' ' OD2' ' A' ' 43' ' ' ASP . . . -133.0 143.39 49.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 70' ' ' TYR . 1.1 mt-10 -63.16 -169.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.78 HG12 ' HA ' ' A' ' 71' ' ' SER . 5.5 m -67.5 -11.7 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.0 t -56.0 -29.04 59.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.611 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -61.85 -53.19 59.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.899 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.3 pp -72.25 -23.04 61.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.655 ' N ' HD12 ' A' ' 44' ' ' LEU . 54.5 t30 -67.07 -33.24 75.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -76.71 -41.27 45.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.619 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.49 111.68 23.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.662 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.5 pt20 -87.86 40.86 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.339 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.682 ' HB2' HG23 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -147.69 110.48 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 111.035 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.859 HD13 ' CD1' ' A' ' 7' ' ' PHE . 37.4 mt -153.64 140.84 19.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.747 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.7 mt -96.16 162.3 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.44 HD11 HG11 ' A' ' 83' ' ' VAL . 2.6 mt -119.89 153.68 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.077 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.99 -84.0 1.76 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 p 179.98 66.6 0.15 Allowed Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -88.75 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.535 1.808 . . . . 0.0 111.012 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.7 m -110.28 158.91 17.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.072 . . . . 0.0 110.5 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -118.32 -56.03 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 108.068 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 51.39 98.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 59' ' ' ILE . 1.5 tp -92.19 97.19 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.17 -161.81 26.42 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.95 -62.48 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.791 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.1 tt -158.08 120.57 3.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.41 1.069 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.45 109.57 1.29 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.398 1.061 . . . . 0.0 110.275 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.3 m 179.98 116.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.065 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -156.51 103.42 2.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.91 126.13 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 108.052 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -61.29 -85.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.359 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.99 -91.49 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.421 1.076 . . . . 0.0 111.038 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.709 HD21 ' HB2' ' A' ' 37' ' ' SER . 0.1 OUTLIER -122.25 156.39 33.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.766 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 40' ' ' GLU . 4.4 m-85 -92.45 49.66 1.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.78 ' HA ' HG12 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -158.3 38.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.411 1.07 . . . . 0.0 110.042 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 74' ' ' ASP . 26.1 tt0 -105.03 102.34 11.84 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.871 HD23 HG12 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -44.6 -27.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.594 ' H ' HD13 ' A' ' 73' ' ' LEU . 31.4 t70 -49.1 -23.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -57.64 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.696 HG21 HD11 ' A' ' 44' ' ' LEU . 64.5 t -51.35 142.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.412 1.07 . . . . 0.0 109.265 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -88.84 62.41 6.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CD1' ' HD2' ' A' ' 81' ' ' LYS . 1.7 m-30 -50.92 120.78 5.16 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.54 127.51 49.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 59.6 14.71 29.81 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.44 1.088 . . . . 0.0 111.02 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.587 ' HD2' ' CD1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -73.75 169.83 16.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 0.767 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.886 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -118.55 131.33 56.22 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.416 1.073 . . . . 0.0 109.255 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 3.0 t -135.89 132.53 50.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.792 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -101.36 162.84 12.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -132.88 131.96 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.106 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -61.27 -52.45 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 1.061 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.5 136.72 4.45 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.1 m -53.49 -60.81 2.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 0.804 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.01 -137.36 2.76 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.55 103.16 15.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.754 . . . . 0.0 109.314 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.456 ' O ' ' NE1' ' A' ' 120' ' ' TRP . 0.0 OUTLIER -144.17 143.47 31.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.373 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.687 HD12 ' N ' ' A' ' 93' ' ' GLY . 2.5 pp -140.36 -51.46 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.687 ' N ' HD12 ' A' ' 92' ' ' ILE . . . 48.57 -130.49 21.35 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -177.71 125.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -159.04 -172.42 3.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -159.86 173.37 16.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -55.11 153.08 7.04 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.53 1.144 . . . . 0.0 109.23 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -174.87 140.92 0.58 Allowed 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -41.09 126.69 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.192 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -70.1 134.34 48.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.4 1.063 . . . . 0.0 109.302 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.19 145.82 52.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 mt -102.17 142.28 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 90.54 47.58 3.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.62 HG23 ' O ' ' A' ' 104' ' ' ILE . 8.2 tt -170.29 64.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.583 0.814 . . . . 0.0 109.241 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.63 -83.51 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.305 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -39.97 116.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.174 . . . . 0.0 110.335 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -174.02 -56.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -113.93 148.83 36.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.871 HG12 HD23 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -55.76 -32.33 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.462 ' CB ' ' OG1' ' A' ' 116' ' ' THR . 0.8 OUTLIER -60.31 -61.59 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.389 1.055 . . . . 0.0 110.0 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -69.26 -32.22 71.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.245 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -63.1 -40.55 97.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.71 69.64 0.09 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 110' ' ' SER . . . 164.01 -152.2 21.92 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 146.61 37.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.767 . . . . 0.0 109.235 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.462 ' OG1' ' CB ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -112.28 127.43 55.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.741 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 14.6 p -115.24 132.32 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -165.38 66.77 0.21 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -37.77 154.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.456 ' NE1' ' O ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER -111.46 -146.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 107.966 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.1 m -51.55 112.9 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.102 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.408 ' H ' HG23 ' A' ' 122' ' ' THR . 80.6 p -40.07 160.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.43 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -107.19 -176.68 3.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -53.63 -95.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.578 1.174 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.61 139.25 26.53 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 0.758 . . . . 0.0 111.034 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.85 141.86 38.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -75.56 156.22 35.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 61.23 147.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -175.97 153.96 1.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.549 1.156 . . . . 0.0 109.335 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.0 p -74.77 170.55 15.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.17 -64.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -168.02 173.01 8.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.27 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.0 tt -159.88 77.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.373 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -178.63 -57.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.435 1.084 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -101.13 -56.37 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.14 114.8 7.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.368 1.042 . . . . 0.0 110.94 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 138' ' ' PHE . 0.0 OUTLIER -131.2 62.24 1.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 0.794 . . . . 0.0 109.298 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.459 ' CG ' ' O ' ' A' ' 137' ' ' LYS . 89.3 m-85 -160.26 149.1 17.12 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.443 1.09 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 35.3 m -62.59 172.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.64 172.15 55.15 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.555 1.16 . . . . 0.0 110.993 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.92 164.03 27.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 0.737 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.58 165.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 15.5 mt -124.12 177.59 5.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -77.84 155.61 30.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -79.64 -51.37 9.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -48.36 113.97 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -116.24 113.54 23.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.96 124.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.72 170.11 5.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.02 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -117.51 -173.91 2.51 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.7 112.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.351 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 6.6 p -90.91 -168.54 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.434 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.428 ' O ' HD12 ' A' ' 156' ' ' ILE . 1.1 t70 -89.25 -14.75 35.18 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.456 ' HB2' ' CD ' ' A' ' 157' ' ' LYS . 0.8 OUTLIER -92.95 27.93 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -75.84 -32.37 59.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.428 HD12 ' O ' ' A' ' 153' ' ' ASP . 0.9 OUTLIER -66.49 -52.43 46.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.321 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' ' 154' ' ' ASP . 0.0 OUTLIER -50.19 -30.87 12.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.3 t -73.45 -45.34 54.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.865 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 92.1 t90 -61.17 -55.42 32.5 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.501 1.126 . . . . 0.0 107.998 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.923 HG23 HD11 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -57.23 -47.96 83.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.474 ' N ' ' CG1' ' A' ' 160' ' ' VAL . . . -57.51 -32.38 66.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -65.89 -41.06 92.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 1.163 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.865 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.4 OUTLIER -67.08 -53.37 31.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.461 ' NZ ' ' HA ' ' A' ' 164' ' ' LYS . 0.2 OUTLIER -58.18 -38.75 77.3 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.586 1.179 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 17.8 m -56.87 -65.41 0.62 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.085 . . . . 0.0 110.033 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.701 ' HB2' HG21 ' A' ' 117' ' ' VAL . 2.7 mm-40 -53.44 -55.37 25.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.886 ' CE1' HD13 ' A' ' 82' ' ' LEU . 21.5 m-30 -57.19 -18.2 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -95.61 -87.97 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 169' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.458 0.74 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.09 138.43 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.695 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -174.88 66.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.206 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.74 147.74 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.751 ' O ' HD23 ' A' ' 6' ' ' LEU . . . -139.61 -179.25 17.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -141.14 117.19 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 109.312 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.848 ' CE2' HD23 ' A' ' 44' ' ' LEU . 10.2 m-85 -127.65 133.29 49.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.606 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.2 OUTLIER -132.75 177.93 7.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.944 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.62 -81.43 0.69 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.609 1.193 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.8 p -97.31 127.89 43.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.384 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.572 ' OE1' ' CD2' ' A' ' 34' ' ' HIS . 3.8 pt20 -122.08 135.58 54.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.242 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.3 p -95.35 99.96 11.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.03 90.37 0.09 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.502 1.126 . . . . 0.0 110.963 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.79 -78.28 0.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 0.8 . . . . 0.0 109.332 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -163.63 155.25 16.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.28 134.51 35.28 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.449 1.093 . . . . 0.0 110.343 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.484 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 23.9 m -153.11 -68.48 0.15 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.931 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.708 ' O ' HG22 ' A' ' 22' ' ' ILE . 88.6 t -64.16 -47.34 90.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.56 -27.6 11.42 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.02 -38.71 61.46 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.522 HG23 HD13 ' A' ' 156' ' ' ILE . 2.2 mp -69.3 -56.16 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 18' ' ' VAL . 3.9 tp -58.67 -33.49 49.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.568 1.168 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -53.92 49.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.48 -24.58 67.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.384 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.64 ' HB3' HG21 ' A' ' 160' ' ' VAL . 13.6 mm-40 -75.28 -39.66 59.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.599 ' CE1' ' HD2' ' A' ' 164' ' ' LYS . 1.2 m-85 -77.18 1.94 16.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . 41.09 -162.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.427 ' CB ' HG22 ' A' ' 30' ' ' VAL . 14.9 m-20 47.22 -172.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.747 . . . . 0.0 109.284 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -96.84 -6.29 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 3' ' ' LYS . 7.7 m -57.88 98.98 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.624 ' CG1' HD21 ' A' ' 33' ' ' LEU . 76.0 t -157.04 81.68 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.354 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.587 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 22.0 p -116.5 98.85 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.358 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.892 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -119.09 167.4 11.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.572 ' CD2' ' OE1' ' A' ' 11' ' ' GLN . 26.3 p-80 -39.64 -29.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.62 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' LEU . 6.3 t70 -38.41 -31.43 0.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.422 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.892 HG22 ' O ' ' A' ' 33' ' ' LEU . 14.8 m -86.93 47.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.5 p -55.1 -18.68 5.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -5.65 32.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.556 ' HB1' ' OD2' ' A' ' 43' ' ' ASP . . . -119.97 119.86 34.67 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.32 -168.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 71' ' ' SER . 1.6 m -63.9 -12.41 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.605 1.191 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 t -57.98 -27.72 63.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.444 1.09 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.556 ' OD2' ' HB1' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -71.18 -52.83 16.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.848 HD23 ' CE2' ' A' ' 7' ' ' PHE . 4.1 pp -66.0 -23.92 66.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.506 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -77.95 -31.09 50.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 1.138 . . . . 0.0 109.369 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.6 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 30.6 t70 -70.54 -39.2 74.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.6 ' CE1' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -99.64 142.4 31.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.989 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.483 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 1.0 OUTLIER -107.96 38.99 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 110.283 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.483 ' CG ' ' C ' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -154.58 112.7 3.51 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.437 1.086 . . . . 0.0 111.057 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.669 HD22 ' CD1' ' A' ' 7' ' ' PHE . 15.6 mt -149.21 164.71 34.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 84' ' ' ALA . 2.7 mp -118.11 139.1 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 mt -117.08 145.9 22.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.93 -90.83 0.15 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.3 p -179.92 150.27 0.54 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 162.19 37.22 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.413 ' OG1' ' N ' ' A' ' 57' ' ' TRP . 18.6 p -106.44 -57.37 2.06 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.598 1.186 . . . . 0.0 110.379 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.413 ' N ' ' OG1' ' A' ' 56' ' ' THR . 17.9 t90 -179.94 134.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' C ' HG22 ' A' ' 59' ' ' ILE . 7.6 t30 -178.42 154.42 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.652 ' C ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -179.84 -40.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.616 ' O ' HD13 ' A' ' 59' ' ' ILE . . . 60.47 -120.9 24.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -160.82 -61.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.785 . . . . 0.0 110.348 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.86 -69.67 0.08 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.13 123.0 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.359 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.69 -64.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.157 . . . . 0.0 110.025 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.88 113.35 17.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.075 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -44.14 140.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.029 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -110.05 174.72 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.19 164.18 19.25 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 69' ' ' LEU . 9.9 tp -115.01 126.11 54.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.258 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.31 144.23 46.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.76 ' O ' HG12 ' A' ' 41' ' ' VAL . 6.0 p -89.51 53.33 2.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.047 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' OE1' ' CD1' ' A' ' 73' ' ' LEU . 0.8 OUTLIER -105.35 161.33 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.389 1.055 . . . . 0.0 110.249 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.797 HD22 ' C ' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -54.05 -27.07 30.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.688 ' N ' HD13 ' A' ' 73' ' ' LEU . 2.9 t70 -45.59 -26.34 0.59 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' N ' ' C ' ' A' ' 73' ' ' LEU . 2.0 m-20 -87.93 -59.83 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 0.0 109.347 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.704 HG21 HD11 ' A' ' 44' ' ' LEU . 85.6 t -42.81 152.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.576 1.173 . . . . 0.0 109.306 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.35 66.81 2.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CE2' ' HE3' ' A' ' 81' ' ' LYS . 2.0 m-30 -56.31 134.08 53.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -138.63 144.33 39.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 113' ' ' GLY . . . 37.58 54.95 1.73 Allowed Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.595 1.184 . . . . 0.0 110.974 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.931 ' NZ ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -122.89 171.14 9.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 0.813 . . . . 0.0 109.271 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.847 ' O ' HD12 ' A' ' 82' ' ' LEU . 1.2 pp -109.98 134.01 52.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.931 HG13 ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -132.61 119.81 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.862 ' HB2' ' CE2' ' A' ' 167' ' ' PHE . . . -101.89 114.02 27.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.678 ' CD2' ' O ' ' A' ' 117' ' ' VAL . 1.2 p90 -100.9 133.2 45.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.66 ' HB2' ' CZ2' ' A' ' 159' ' ' TRP . 1.0 OUTLIER -102.16 106.11 16.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 111.017 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.31 145.38 15.92 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.512 ' OG1' ' CE1' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -160.69 158.12 28.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.563 0.802 . . . . 0.0 110.417 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -67.56 -148.71 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -114.4 126.93 55.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.337 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -168.12 146.81 4.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.49 78.58 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.61 150.06 16.87 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.583 1.177 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -152.87 132.54 13.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.561 0.801 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -133.46 171.36 14.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -103.9 156.88 17.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.209 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -69.85 137.36 51.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 109.366 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -168.69 102.35 0.4 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -105.64 124.8 50.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -174.44 -56.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.94 57.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.9 pt -122.06 155.39 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 105' ' ' LEU . . . 105.29 -67.86 0.26 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.502 ' O ' HG22 ' A' ' 104' ' ' ILE . 6.7 mt -67.82 70.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 0.729 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 107' ' ' GLU . 18.0 mt -107.07 136.62 46.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.41 96.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.396 1.06 . . . . 0.0 110.24 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 105' ' ' LEU . 2.8 tp10 -167.95 -149.98 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.6 OUTLIER -97.0 -177.94 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 78' ' ' PHE . 8.2 mm -51.46 -32.25 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.5 m -40.8 -77.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.034 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.74 -42.14 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 5.3 ttt180 -58.45 -48.8 79.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.224 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -44.28 -54.6 6.23 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.48 1.113 . . . . 0.0 111.07 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 167.15 -120.64 0.92 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.38 146.63 32.74 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 0.721 . . . . 0.0 109.266 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 28.6 p -123.77 144.84 49.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.367 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.678 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 4.5 m -124.03 162.49 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.62 ' HA3' ' CZ ' ' A' ' 85' ' ' TYR . . . 152.4 44.36 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 121' ' ' SER . 0.3 OUTLIER -37.44 156.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 0.732 . . . . 0.0 111.024 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -131.99 -48.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.593 ' O ' ' CE2' ' A' ' 119' ' ' TYR . 28.8 t -99.58 -174.76 2.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.069 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.676 HG21 HE22 ' A' ' 148' ' ' GLN . 53.8 p -105.92 178.8 4.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.472 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.422 ' CB ' ' OH ' ' A' ' 119' ' ' TYR . 58.5 t0 -179.95 -63.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -98.4 174.89 28.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.565 1.166 . . . . 0.0 110.966 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.543 ' HE2' HD23 ' A' ' 143' ' ' LEU . 1.3 p90 -176.25 47.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.48 123.08 17.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -110.88 173.74 6.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -129.65 163.37 26.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.16 173.4 16.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -87.15 172.79 9.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -55.43 151.98 9.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -85.49 164.92 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -152.85 -178.83 7.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.226 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.402 ' O ' ' CG ' ' A' ' 135' ' ' ASN . 2.9 ptp180 -40.15 131.1 2.1 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.382 1.051 . . . . 0.0 110.263 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 134' ' ' ARG . 2.1 p-10 41.86 88.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -50.02 -178.32 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 139' ' ' VAL . 0.5 OUTLIER -157.69 -63.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -37.83 131.87 0.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 137' ' ' LYS . 52.4 t -135.19 151.62 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.71 -168.65 28.82 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.58 156.31 31.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -85.65 -173.87 4.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.18 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.543 HD23 ' HE2' ' A' ' 125' ' ' TYR . 0.8 OUTLIER -107.46 164.77 11.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -110.43 94.73 5.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.351 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.3 -51.63 8.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.568 1.167 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 147' ' ' ASN . 2.9 m-20 -40.43 113.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . 0.455 ' C ' ' O ' ' A' ' 146' ' ' ASP . 10.4 t30 35.88 87.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.676 HE22 HG21 ' A' ' 122' ' ' THR . 4.6 tt0 -120.2 147.48 44.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.585 1.178 . . . . 0.0 110.25 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.0 145.02 26.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.968 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -97.27 110.4 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 109.285 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.96 75.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.861 HG23 ' H ' ' A' ' 154' ' ' ASP . 13.9 t -139.56 -171.14 3.07 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 110.509 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.46 -29.26 64.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.443 1.089 . . . . 0.0 109.249 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.861 ' H ' HG23 ' A' ' 152' ' ' THR . 75.5 m-20 -92.45 34.13 1.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -69.82 -56.72 6.35 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.522 HD13 HG23 ' A' ' 21' ' ' ILE . 1.0 OUTLIER -66.3 -39.51 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 0.0 OUTLIER -67.62 -31.23 71.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 154' ' ' ASP . 3.1 m -67.77 -73.09 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.771 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 20.0 t90 -42.64 -55.24 3.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 108.022 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.869 HG13 ' HZ1' ' A' ' 164' ' ' LYS . 40.9 t -50.64 -53.71 12.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.53 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -53.29 -30.72 40.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -73.33 -48.29 35.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.342 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.771 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -59.1 -56.53 20.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.869 ' HZ1' HG13 ' A' ' 160' ' ' VAL . 0.0 OUTLIER -62.55 -30.99 71.71 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.526 1.142 . . . . 0.0 109.229 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.4 t -58.84 -78.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.996 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.45 ' HB3' HG11 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -45.07 -57.84 3.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.862 ' CE2' ' HB2' ' A' ' 84' ' ' ALA . 22.5 m-30 -55.57 -21.23 16.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.064 . . . . 0.0 111.03 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -87.44 -78.2 1.26 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.396 0.703 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.588 ' HB3' ' CD2' ' A' ' 49' ' ' TYR . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.706 ' O ' ' C ' ' A' ' 3' ' ' LYS . 6.7 tttt -132.86 161.62 33.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 109.356 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.892 ' HA ' HG12 ' A' ' 30' ' ' VAL . 1.9 tptm 6.02 75.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.645 HD13 ' CE1' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -76.98 137.58 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.656 ' CA ' HD23 ' A' ' 50' ' ' LEU . . . -131.12 179.72 16.79 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.971 HD12 ' O ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -139.13 117.27 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 0.792 . . . . 0.0 109.336 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.824 ' CE2' HD23 ' A' ' 44' ' ' LEU . 8.5 m-85 -122.89 122.84 39.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.737 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.2 OUTLIER -126.95 150.57 49.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.978 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.6 -55.67 19.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.463 1.102 . . . . 0.0 110.992 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.0 p -47.06 149.89 0.86 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 0.719 . . . . 0.0 110.415 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -59.36 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 12' ' ' THR . 1.7 t -165.61 80.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.427 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.81 -56.11 5.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.566 1.166 . . . . 0.0 110.963 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.05 139.27 52.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.1 m -54.28 156.1 3.39 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.533 1.146 . . . . 0.0 110.403 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.72 111.55 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.91 -49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.635 1.209 . . . . 0.0 109.948 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.899 ' O ' HG22 ' A' ' 22' ' ' ILE . 2.6 p -55.08 -31.87 26.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -63.64 -27.3 69.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.76 -38.64 62.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.26 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.848 HG22 ' OE1' ' A' ' 25' ' ' GLU . 2.7 mp -69.69 -56.65 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.899 HG22 ' O ' ' A' ' 18' ' ' VAL . 5.5 tp -57.3 -34.65 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.629 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -61.58 -53.21 59.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.379 1.049 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.27 -38.47 65.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.974 ' HB3' HG21 ' A' ' 160' ' ' VAL . 16.4 mt-10 -62.45 -50.22 72.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.263 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.645 ' CE1' HD13 ' A' ' 4' ' ' ILE . 2.2 m-85 -57.46 -52.65 64.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . 98.92 -81.96 0.58 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.441 1.088 . . . . 0.0 111.067 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.854 ' HB3' HG22 ' A' ' 30' ' ' VAL . 7.8 m-20 -39.3 157.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.62 -17.04 30.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.59 1.181 . . . . 0.0 109.313 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.892 HG12 ' HA ' ' A' ' 3' ' ' LYS . 2.8 m -47.92 100.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.714 ' O ' HG12 ' A' ' 31' ' ' VAL . 3.0 t -155.31 81.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.971 ' O ' HD12 ' A' ' 6' ' ' LEU . 2.9 p -111.71 156.56 21.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.784 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -158.97 164.0 35.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.097 . . . . 0.0 109.229 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.737 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -64.76 -11.48 37.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.587 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.784 ' HB2' HD13 ' A' ' 33' ' ' LEU . 33.7 t0 -38.55 -31.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.364 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 33' ' ' LEU . 5.9 m -80.7 54.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.278 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -68.11 -8.29 36.94 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.486 1.116 . . . . 0.0 109.941 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -8.11 50.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.419 1.075 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -117.7 -171.59 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.373 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -106.24 -169.2 1.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.921 HG11 ' HB3' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -71.01 -10.87 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.0 t -55.57 -27.83 51.44 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -68.27 -54.19 19.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.824 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.9 pp -66.94 -23.43 65.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.41 ' HB2' HG23 ' A' ' 76' ' ' VAL . 43.9 t30 -74.94 -31.23 61.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.475 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -63.13 -39.89 96.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.26 144.73 29.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.62 1.2 . . . . 0.0 111.063 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.49 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -107.67 37.42 2.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.607 1.192 . . . . 0.0 110.275 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.588 ' CD2' ' HB3' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -155.23 114.16 3.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 111.057 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.656 HD23 ' CA ' ' A' ' 5' ' ' GLY . 34.6 mt -149.43 165.39 32.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.726 HG21 ' HH2' ' A' ' 159' ' ' TRP . 2.7 mp -118.97 142.79 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.535 1.147 . . . . 0.0 109.234 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.435 HG13 HG13 ' A' ' 83' ' ' VAL . 2.0 mt -125.02 138.18 55.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.98 -88.84 1.04 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 20.0 t -157.46 95.18 2.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 176.89 9.32 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.1 m -68.2 124.96 24.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.21 169.5 11.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.043 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 59.65 -179.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 4.3 mt -71.76 -67.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.15 -71.3 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.8 164.75 17.37 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.4 0.706 . . . . 0.0 110.336 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.9 tp -121.04 -61.93 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -90.19 138.27 31.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.604 1.19 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.99 150.95 20.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.598 1.186 . . . . 0.0 110.051 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.36 161.1 33.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -71.84 96.47 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 108.072 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.16 75.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.33 140.19 7.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.56 1.162 . . . . 0.0 111.029 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.9 87.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 0.807 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -142.54 177.97 7.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.0 t -118.03 47.26 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.004 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -105.37 148.12 27.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.644 HD12 HG21 ' A' ' 109' ' ' ILE . 1.8 pt? -58.01 -26.22 62.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -45.4 -25.99 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.921 ' HB3' HG11 ' A' ' 41' ' ' VAL . 1.0 OUTLIER -91.05 -61.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.23 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.814 ' HB ' HD11 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -44.78 168.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.401 1.063 . . . . 0.0 109.257 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -123.53 66.53 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.753 ' CE1' HG11 ' A' ' 76' ' ' VAL . 4.4 m-30 -61.41 106.01 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 111.059 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -134.6 66.85 1.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.1 44.01 0.12 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.566 ' HD2' ' CG ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -134.36 166.97 21.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.06 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.6 OUTLIER -95.55 136.4 35.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 2.9 t -137.01 128.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.829 ' HA ' HG22 ' A' ' 117' ' ' VAL . . . -101.69 114.07 27.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -97.1 115.79 28.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.429 1.081 . . . . 0.0 110.96 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -71.06 -64.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.89 76.19 1.17 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.577 1.173 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.4 t -69.61 -177.73 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 0.737 . . . . 0.0 110.381 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -151.46 91.47 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.05 -63.88 1.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 109.274 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.79 152.15 24.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.73 147.91 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.216 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.51 113.98 1.0 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.559 1.162 . . . . 0.0 111.045 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -173.76 101.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 0.816 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -131.43 59.77 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.407 1.067 . . . . 0.0 109.253 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -179.08 163.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -140.8 91.98 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.67 103.09 0.08 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -171.36 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.586 1.178 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.84 106.99 13.58 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.196 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -85.48 -68.29 0.74 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.1 mm -86.88 -70.04 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.54 69.52 1.24 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.2 tp -57.47 151.98 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.253 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.18 163.44 0.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.18 148.66 48.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.431 ' O ' ' CG ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -69.37 60.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -131.91 154.24 49.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.66 HD12 ' HB2' ' A' ' 78' ' ' PHE . 35.6 mm -52.14 -32.6 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.453 ' CA ' ' OG1' ' A' ' 116' ' ' THR . 3.1 m -41.39 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.94 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.6 -45.43 8.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.459 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 4.4 ttt-85 -59.05 -17.12 22.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -106.47 39.94 2.68 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.548 1.155 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 106.12 -112.14 3.81 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -126.69 147.69 49.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.453 ' OG1' ' CA ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -130.12 133.93 46.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.102 . . . . 0.0 110.368 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.829 HG22 ' HA ' ' A' ' 84' ' ' ALA . 1.0 OUTLIER -102.06 146.09 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 138.63 66.99 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -51.33 145.26 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 111.038 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -165.88 -60.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 108.03 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 p -61.75 143.33 56.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.8 m -147.99 140.06 24.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.15 147.28 7.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -138.46 139.58 10.39 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.585 1.178 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -116.95 154.75 30.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.427 0.722 . . . . 0.0 111.085 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -41.53 151.87 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -111.97 -46.7 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -52.04 160.33 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.561 1.163 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -105.61 162.79 13.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 19.6 m -52.73 170.38 0.07 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.521 1.138 . . . . 0.0 109.953 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -128.55 173.12 10.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -171.82 161.11 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.733 ' C ' HD22 ' A' ' 133' ' ' LEU . 0.0 OUTLIER -129.61 150.55 50.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -58.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 136' ' ' GLY . 7.1 p30 -169.79 -47.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 109.259 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.421 ' N ' ' OD1' ' A' ' 135' ' ' ASN . . . -86.85 172.07 43.69 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.459 1.099 . . . . 0.0 111.071 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.62 140.27 3.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.557 0.798 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -162.49 153.88 17.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 111.039 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 33.5 m -107.82 175.74 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 0.0 109.215 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -152.14 153.76 25.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.19 149.97 51.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 0.767 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.63 162.36 34.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.248 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.8 mt -112.68 177.13 4.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -77.04 101.29 5.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.64 -38.73 72.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 110.266 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -51.24 153.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.26 157.74 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -85.34 150.18 24.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.391 1.057 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.04 160.99 14.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -119.69 140.8 50.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.555 1.159 . . . . 0.0 109.385 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.56 163.32 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 19.1 p -140.21 177.44 7.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.38 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -85.71 -25.85 26.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.598 1.186 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -91.6 38.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 23.7 ttt-85 -75.74 -56.65 4.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.692 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.4 OUTLIER -51.35 -53.45 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.552 ' NZ ' ' HB2' ' A' ' 161' ' ' ALA . 0.0 OUTLIER -58.6 -30.34 67.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.279 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 157' ' ' LYS . 0.0 OUTLIER -67.82 -63.74 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.953 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.915 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 21.2 t90 -42.14 -56.74 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.974 HG21 ' HB3' ' A' ' 25' ' ' GLU . 25.6 t -51.67 -51.92 24.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.552 ' HB2' ' NZ ' ' A' ' 157' ' ' LYS . . . -52.22 -31.96 34.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -71.95 -49.4 37.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.078 . . . . 0.0 110.331 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.915 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.6 OUTLIER -59.74 -54.76 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -61.2 -36.44 79.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.343 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.7 OUTLIER -51.85 -62.83 1.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.906 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 167' ' ' PHE . 7.9 tp10 -67.88 -56.95 7.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 1.06 ' CE1' HD13 ' A' ' 82' ' ' LEU . 11.4 m-30 -37.64 -46.96 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.414 1.071 . . . . 0.0 111.028 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.13 -72.88 1.04 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.568 1.167 . . . . 0.0 110.931 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 O-C-N 124.488 0.758 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.96 137.33 51.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.24 36.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.741 ' CG2' HD11 ' A' ' 51' ' ' ILE . 3.3 mp -73.37 154.33 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.222 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.819 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -143.03 169.94 25.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 110.984 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.614 ' H ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -134.07 116.41 15.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 109.321 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.039 ' CD2' HD23 ' A' ' 44' ' ' LEU . 4.9 m-85 -118.04 119.1 33.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.572 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 1.4 p90 -124.99 179.87 4.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -121.5 16.04 9.12 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 124.488 1.117 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.2 p -108.32 -140.79 0.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.581 0.812 . . . . 0.0 110.393 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -120.23 -150.65 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.42 1.075 . . . . 0.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.403 ' H ' HG23 ' A' ' 12' ' ' THR . 32.5 p -63.34 -154.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -119.14 -129.46 3.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.437 1.085 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 -80.44 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 0.738 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 1.043 HG22 HG22 ' A' ' 18' ' ' VAL . 6.9 t -45.61 162.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.442 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.43 -91.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.288 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.462 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 16.3 m -100.66 80.87 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.944 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.043 HG22 HG22 ' A' ' 15' ' ' THR . 6.4 t -57.73 -41.36 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.25 -38.14 50.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -31.61 66.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.586 1.179 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.161 ' CG2' HD13 ' A' ' 156' ' ' ILE . 1.9 mp -68.87 -56.32 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.876 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 6.1 tp -55.54 -38.02 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.07 -53.84 53.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -63.31 -20.63 65.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.813 ' OE2' ' CE ' ' A' ' 157' ' ' LYS . 5.2 mm-40 -76.69 -49.8 15.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.301 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.948 ' CE1' ' HD3' ' A' ' 164' ' ' LYS . 1.7 m-85 -64.24 -10.33 22.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 28' ' ' ASN . . . 42.82 83.11 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.712 ' HB3' HG12 ' A' ' 30' ' ' VAL . 5.5 m-20 155.88 -174.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.584 0.814 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 31' ' ' VAL . 1.3 m-20 -82.56 -20.93 35.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.712 HG12 ' HB3' ' A' ' 28' ' ' ASN . 0.2 OUTLIER -47.34 97.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 30' ' ' VAL . 71.8 t -158.27 80.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.602 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 29.1 p -119.71 98.83 6.3 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.411 1.069 . . . . 0.0 110.381 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.983 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -105.99 156.53 18.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.572 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -45.31 -26.04 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.532 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.983 ' HB2' HD13 ' A' ' 33' ' ' LEU . 3.7 t70 -38.19 -31.86 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.344 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 36' ' ' VAL . 9.7 p -76.67 56.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.1 t -74.05 -2.74 25.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.983 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.16 -5.5 32.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.591 1.182 . . . . 0.0 110.204 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.505 ' HB3' ' CG ' ' A' ' 43' ' ' ASP . . . -136.93 138.1 40.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -169.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 71' ' ' SER . 29.0 m -64.61 -12.33 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.8 p -59.07 -27.58 65.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.457 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.562 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.3 OUTLIER -57.81 -53.71 55.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.379 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.039 HD23 ' CD2' ' A' ' 7' ' ' PHE . 3.6 pp -73.69 -23.08 59.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.614 ' N ' HD12 ' A' ' 44' ' ' LEU . 60.2 t30 -66.26 -30.7 71.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.414 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 11.9 m-20 -67.93 -36.89 80.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -96.34 130.34 43.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 111.016 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -90.25 29.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.603 1.189 . . . . 0.0 110.294 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.836 ' O ' HD22 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -147.26 112.83 5.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.836 HD22 ' O ' ' A' ' 49' ' ' TYR . 4.3 mm? -134.53 161.26 35.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.595 1.184 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.819 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.9 mp -128.89 148.91 33.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.444 1.09 . . . . 0.0 109.234 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.884 HD11 ' CE1' ' A' ' 85' ' ' TYR . 1.6 pt -140.82 167.34 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.424 ' CA ' ' HB3' ' A' ' 86' ' ' PHE . . . -158.58 59.9 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.15 92.87 5.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 69.23 5.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.607 1.846 . . . . 0.0 110.961 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.0 t -38.83 155.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.414 1.072 . . . . 0.0 110.364 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 26.2 m0 -135.6 -49.01 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 108.021 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 52.98 175.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.236 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -156.1 -45.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -108.99 -179.65 21.32 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.528 1.142 . . . . 0.0 111.104 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -154.04 -53.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 110.366 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -93.55 141.41 28.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.56 -59.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.606 1.192 . . . . 0.0 110.402 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.04 -63.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.969 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.11 163.69 13.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.6 p90 -116.43 157.16 25.57 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -148.07 134.11 19.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.94 129.98 3.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.586 1.179 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.717 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.5 pp -173.96 69.46 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 0.765 . . . . 0.0 109.199 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -138.04 132.34 32.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.684 ' O ' HG12 ' A' ' 41' ' ' VAL . 5.9 p -106.85 52.86 0.71 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.976 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.22 150.15 25.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.281 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.837 HD13 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -54.15 -27.27 32.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.837 ' N ' HD13 ' A' ' 73' ' ' LEU . 3.2 t70 -49.45 -23.82 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 73' ' ' LEU . 1.0 OUTLIER -90.39 -55.47 3.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.56 HG21 HD11 ' A' ' 44' ' ' LEU . 89.2 t -40.38 139.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.35 57.18 1.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CD2' HD23 ' A' ' 73' ' ' LEU . 1.2 m-85 -55.68 110.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 111.031 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.486 ' O ' ' N ' ' A' ' 81' ' ' LYS . 0.7 OUTLIER -65.26 -153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.08 58.54 0.23 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 79' ' ' ASN . 2.0 mttt -93.85 172.01 8.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 0.779 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -94.9 131.47 40.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 50' ' ' LEU . 2.8 t -132.97 148.07 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 1.025 ' HA ' HG12 ' A' ' 117' ' ' VAL . . . -115.38 136.47 53.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.14 . . . . 0.0 109.255 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.884 ' CE1' HD11 ' A' ' 52' ' ' ILE . 0.7 OUTLIER -117.15 112.44 20.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.071 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.538 ' HD2' ' CE2' ' A' ' 159' ' ' TRP . 5.4 t80 -88.12 113.51 23.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 111.069 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.71 137.52 9.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.451 1.094 . . . . 0.0 111.022 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 20.2 p -104.09 108.2 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 0.795 . . . . 0.0 110.409 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -136.89 47.48 0.96 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.537 ' HB3' HD12 ' A' ' 92' ' ' ILE . 11.5 m-20 -149.78 117.35 6.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.269 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -104.85 58.47 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' A' ' 90' ' ' ASP . 4.3 mt -89.92 -75.06 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.22 -153.85 22.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -168.32 97.57 0.42 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.94 147.53 48.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -47.34 113.66 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.198 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.26 128.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -116.51 -11.58 11.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.57 152.55 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.63 139.71 58.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -103.13 159.09 15.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 tt -144.46 131.71 16.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 109.26 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -137.38 -156.8 7.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 3.8 mm -128.8 87.55 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 109.258 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.527 ' O ' ' C ' ' A' ' 106' ' ' GLU . 1.9 mt 179.94 37.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.38 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.527 ' C ' ' O ' ' A' ' 105' ' ' LEU . 3.5 mt-10 -27.24 -45.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 105' ' ' LEU . 3.9 mt-10 -37.52 -52.15 1.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.451 1.094 . . . . 0.0 110.332 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 105' ' ' LEU . 19.4 mmtm -68.48 80.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.471 HG23 ' HA3' ' A' ' 113' ' ' GLY . 20.7 mm -51.82 -30.6 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.688 ' O ' HG23 ' A' ' 116' ' ' THR . 73.5 m -35.14 -80.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -96.23 -30.99 13.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.35 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' HG3' ' C ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -88.29 19.67 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.226 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.471 ' HA3' HG23 ' A' ' 109' ' ' ILE . . . -130.79 7.31 5.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 118.28 -119.84 4.51 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -113.08 158.74 19.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.412 0.713 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.688 HG23 ' O ' ' A' ' 110' ' ' SER . 1.4 p -133.69 133.51 41.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 1.025 HG12 ' HA ' ' A' ' 84' ' ' ALA . 4.7 p -100.09 148.89 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.596 1.185 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -178.29 -149.08 7.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -116.32 118.71 33.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -117.83 -60.24 1.83 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.2 m -114.5 108.91 17.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.079 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 61.7 p -51.34 119.32 3.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.388 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.58 116.8 7.21 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.543 1.152 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 161.55 106.65 0.21 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -77.45 89.19 3.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 0.723 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -44.38 117.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.456 ' CZ ' ' CZ ' ' A' ' 138' ' ' PHE . 0.6 OUTLIER -119.54 -58.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.929 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -177.24 88.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.418 1.074 . . . . 0.0 109.348 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.89 103.15 4.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 13.0 m -151.53 89.54 1.5 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.517 1.136 . . . . 0.0 109.969 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.58 76.21 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -143.06 171.9 13.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.239 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.2 mp -45.48 -61.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -73.46 143.08 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 110.249 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 59.8 t30 177.91 139.76 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 152.92 85.05 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.17 154.94 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.456 ' CZ ' ' CZ ' ' A' ' 127' ' ' PHE . 0.5 OUTLIER -164.36 41.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.68 154.54 40.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.37 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 122.57 130.79 3.75 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.548 1.155 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -74.01 178.07 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 0.723 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -44.36 126.4 5.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.6 mt -112.58 -178.22 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -57.23 102.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -30.07 62.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -48.59 110.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.218 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -133.15 165.04 25.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -77.77 164.12 25.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.24 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 72.1 m -99.96 171.98 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.018 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.85 161.46 9.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.43 HD23 ' H ' ' A' ' 151' ' ' LEU . 1.0 OUTLIER -93.02 -169.2 2.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 15.1 t -168.28 147.47 4.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.483 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 155' ' ' ARG . 8.4 t0 -53.06 -58.83 5.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.466 ' HB3' ' CG ' ' A' ' 157' ' ' LYS . 14.3 m-20 -68.54 68.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 153' ' ' ASP . 39.3 ttp180 -75.9 -56.24 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 1.161 HD13 ' CG2' ' A' ' 21' ' ' ILE . 0.8 OUTLIER -54.56 -32.3 24.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 109.246 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.813 ' CE ' ' OE2' ' A' ' 25' ' ' GLU . 9.8 mtpt -67.68 -39.79 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 5.3 p -69.31 -46.98 65.83 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.426 1.079 . . . . 0.0 110.047 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.785 ' CH2' HG21 ' A' ' 51' ' ' ILE . 18.8 t90 -60.19 -63.63 1.23 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.876 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 50.6 t -50.84 -32.42 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.385 1.053 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -70.71 -31.61 68.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 159' ' ' TRP . 0.8 OUTLIER -73.53 -55.85 5.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.825 ' HA ' HG21 ' A' ' 117' ' ' VAL . 0.1 OUTLIER -58.14 -53.9 52.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.948 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -58.77 -38.94 79.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 1.0 OUTLIER -52.85 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.77 ' HG3' HG23 ' A' ' 117' ' ' VAL . 5.8 mt-10 -48.29 -59.72 3.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.356 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.798 ' CE1' HD13 ' A' ' 82' ' ' LEU . 17.4 m-30 -47.28 -23.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -80.67 -72.67 1.21 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.346 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.73 129.23 42.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.865 ' HA ' HG12 ' A' ' 30' ' ' VAL . 8.9 tttt -174.8 66.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.443 HG21 ' CE1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -73.91 146.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.335 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.638 ' CA ' HD23 ' A' ' 50' ' ' LEU . . . -138.45 -179.14 16.88 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.426 1.079 . . . . 0.0 110.992 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -140.65 115.9 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.303 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.946 ' CE2' HD23 ' A' ' 44' ' ' LEU . 7.5 m-85 -127.45 118.88 24.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.742 ' CZ ' ' CE1' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -120.22 179.95 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.947 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 11' ' ' GLN . . . -88.28 157.37 27.94 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.8 m -38.69 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 0.0 110.414 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.694 ' O ' HG23 ' A' ' 12' ' ' THR . 4.4 tt0 -178.77 125.73 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.239 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 11' ' ' GLN . 2.3 p -159.98 167.61 27.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 110.419 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.82 118.87 4.42 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.482 1.113 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.68 -97.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.217 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.754 HG22 ' N ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -175.23 -89.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.627 1.204 . . . . 0.0 110.39 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.754 ' N ' HG22 ' A' ' 15' ' ' THR . 6.8 tp10 -54.87 162.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 m -106.08 74.6 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.015 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.7 ' O ' HG22 ' A' ' 22' ' ' ILE . 85.5 t -62.0 -31.78 52.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -51.66 -27.11 10.55 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 109.235 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.9 -42.22 40.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.093 . . . . 0.0 110.276 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.609 ' N ' HD12 ' A' ' 21' ' ' ILE . 1.7 mp -65.19 -53.33 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.7 HG22 ' O ' ' A' ' 18' ' ' VAL . 4.4 tp -59.89 -40.74 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' CG ' HG21 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -59.53 -54.27 48.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.587 1.179 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -22.17 66.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.783 ' HB3' HG21 ' A' ' 160' ' ' VAL . 4.3 mm-40 -77.77 -50.06 13.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.731 ' CZ ' HD11 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -60.12 -13.76 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.9 -172.21 15.72 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.545 ' CB ' HG22 ' A' ' 30' ' ' VAL . 2.4 m120 47.24 -172.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -96.09 -6.52 38.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.865 HG12 ' HA ' ' A' ' 3' ' ' LYS . 1.3 m -52.48 99.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 30' ' ' VAL . 66.6 t -156.46 83.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.546 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 36.7 p -115.96 99.92 7.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.43 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.98 HD13 ' CB ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -102.09 166.48 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.742 ' CE1' ' CZ ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -69.32 -8.59 47.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.98 ' CB ' HD13 ' A' ' 33' ' ' LEU . 8.3 t70 -39.75 -30.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.245 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' A' ' 34' ' ' HIS . 10.6 m -86.15 52.47 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.3 t -64.76 -11.25 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.023 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -5.48 32.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -109.95 -171.6 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.386 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -101.46 -174.76 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.639 HG12 ' HA ' ' A' ' 71' ' ' SER . 3.7 m -78.58 -12.18 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 t -58.5 -28.09 65.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.408 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.545 ' O ' ' CZ ' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -58.41 -52.35 65.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.039 HD12 ' N ' ' A' ' 45' ' ' ASN . 3.7 pp -74.06 -45.43 49.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 1.039 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -46.44 -29.66 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.414 1.071 . . . . 0.0 109.265 -179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.559 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 98.2 m-20 -65.94 -45.46 81.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.633 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -99.13 145.85 26.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.426 1.079 . . . . 0.0 110.99 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.676 ' N ' HE21 ' A' ' 48' ' ' GLN . 0.0 OUTLIER -108.27 28.28 8.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.225 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.617 ' CE1' ' HG2' ' A' ' 48' ' ' GLN . 0.1 OUTLIER -138.34 111.99 8.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 179.906 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.78 HD22 ' CD1' ' A' ' 7' ' ' PHE . 13.6 mt -148.68 165.9 29.98 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.552 1.157 . . . . 0.0 109.394 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.779 HG12 ' HB3' ' A' ' 84' ' ' ALA . 2.8 mp -122.0 145.69 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.7 mt -124.16 145.96 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.24 -54.22 0.55 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.429 1.081 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.3 m -149.07 159.09 38.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -62.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.43 1.753 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.99 -50.17 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 124.42 1.075 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER 179.93 166.03 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 108.052 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -74.43 105.41 5.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.0 tt -76.35 157.34 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.19 -79.74 0.89 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -160.09 103.39 1.47 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.546 0.791 . . . . 0.0 110.354 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.75 139.86 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.02 166.26 23.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.8 p -133.34 159.74 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -90.63 157.15 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -126.75 122.02 33.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 108.003 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 180.0 -37.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.345 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 131.59 167.42 11.89 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.442 1.089 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.434 HD23 ' CE2' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -152.54 -46.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 0.817 . . . . 0.0 109.277 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.434 ' CE2' HD23 ' A' ' 69' ' ' LEU . 71.5 m-85 -157.67 -168.82 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 1.062 . . . . 0.0 111.036 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.639 ' HA ' HG12 ' A' ' 41' ' ' VAL . 10.9 t -81.32 52.71 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 109.955 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -105.5 144.15 32.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' HA ' HG12 ' A' ' 76' ' ' VAL . 1.7 pt? -53.4 -26.43 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -45.41 -25.46 0.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.467 ' CB ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -95.08 -53.78 3.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.345 179.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.783 HG11 ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -47.88 174.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.373 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.06 70.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.783 ' CE1' HG11 ' A' ' 76' ' ' VAL . 5.4 m-30 -65.21 122.28 16.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -140.89 79.25 1.69 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.411 ' HA2' ' N ' ' A' ' 114' ' ' GLY . . . 108.46 59.38 0.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.411 1.069 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.69 ' CD ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -134.58 172.82 12.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.9 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.4 OUTLIER -101.4 135.08 43.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.69 HG23 ' CD ' ' A' ' 81' ' ' LYS . 3.5 t -136.85 132.96 48.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.779 ' HB3' HG12 ' A' ' 51' ' ' ILE . . . -101.78 147.63 26.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -115.65 119.77 37.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.542 ' HA ' ' CZ2' ' A' ' 159' ' ' TRP . 76.8 t80 -56.79 125.52 22.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.409 1.068 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -37.91 136.67 0.85 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.416 1.073 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 t -173.07 128.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 0.796 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.05 -112.52 2.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -81.59 87.28 6.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 0.79 . . . . 0.0 109.344 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -107.83 4.85 25.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 110.276 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 92' ' ' ILE . 30.4 mm -96.59 -64.28 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.392 1.057 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.45 109.65 0.54 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -154.78 93.55 1.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.97 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -42.6 130.25 4.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -147.06 98.6 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.224 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -81.52 104.71 12.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -178.96 102.33 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -101.81 146.46 27.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.531 1.144 . . . . 0.0 110.21 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.98 113.96 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.94 112.02 0.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.514 HG23 ' N ' ' A' ' 103' ' ' GLY . 0.5 OUTLIER -159.68 -54.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.514 ' N ' HG23 ' A' ' 102' ' ' ILE . . . 63.2 137.12 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.569 1.168 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 5.1 mm -117.58 -62.59 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.1 113.65 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -59.15 107.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.266 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -124.92 -91.19 0.54 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -74.65 151.5 39.29 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.6 1.188 . . . . 0.0 109.355 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.664 HG22 ' HE2' ' A' ' 81' ' ' LYS . 1.8 mp -51.76 -40.88 28.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.489 ' CB ' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER -53.21 -57.06 11.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.014 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -81.16 -2.52 48.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 110.245 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 108' ' ' LYS . 1.1 ttt85 -75.2 -48.85 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 175.19 126.51 0.95 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.362 1.039 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 81' ' ' LYS . . . 128.22 -144.98 15.7 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.16 146.5 45.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.608 0.828 . . . . 0.0 109.286 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.489 HG21 ' CB ' ' A' ' 110' ' ' SER . 12.5 p -120.54 122.51 40.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.683 HG11 ' CZ ' ' A' ' 167' ' ' PHE . 9.3 p -100.05 129.68 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -168.34 -158.6 12.58 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 111.036 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.05 96.65 7.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -176.2 -67.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.549 1.155 . . . . 0.0 108.014 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.5 m -41.93 -55.53 3.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.07 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 10.4 t -39.64 133.98 1.4 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.52 -64.11 1.31 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.276 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 131.36 -65.9 0.59 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.529 ' CE1' ' O ' ' A' ' 126' ' ' ASP . 12.3 t80 -47.89 138.46 8.77 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.515 0.773 . . . . 0.0 111.025 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.529 ' O ' ' CE1' ' A' ' 125' ' ' TYR . 0.2 OUTLIER -112.59 167.34 10.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.343 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -108.0 171.07 7.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 62.75 150.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -115.03 173.6 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 28.6 t -99.85 -62.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.53 139.49 53.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.354 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -102.29 -78.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.846 ' HB3' HG21 ' A' ' 139' ' ' VAL . 0.2 OUTLIER -159.57 129.37 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.516 ' N ' HD13 ' A' ' 133' ' ' LEU . 0.0 OUTLIER -68.78 85.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 172.15 147.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -83.87 59.28 4.97 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -138.39 173.79 11.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.418 ' O ' HG13 ' A' ' 139' ' ' VAL . 0.9 OUTLIER -73.64 116.71 14.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 110.938 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.846 HG21 ' HB3' ' A' ' 133' ' ' LEU . 15.4 m -152.51 179.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 170.86 136.26 2.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.3 mt -105.16 174.31 5.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -132.69 153.26 51.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.373 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.93 166.38 10.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.41 99.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.358 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.53 -56.74 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -45.7 138.44 4.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.175 . . . . 0.0 109.308 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.25 155.01 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.398 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -137.59 144.78 42.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.632 1.207 . . . . 0.0 110.286 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.63 140.78 21.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -163.18 145.65 10.2 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.3 tp -48.14 150.78 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 17.8 m -133.49 128.41 35.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -56.73 -50.95 70.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.426 ' HB3' ' CG ' ' A' ' 157' ' ' LYS . 28.0 m-20 -85.43 80.9 8.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -50.13 27.61 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.618 1.199 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.666 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.84 -40.93 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 4.4 mttm -56.58 -32.09 64.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 159' ' ' TRP . 0.5 OUTLIER -76.84 -71.27 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.85 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 27.9 t90 -42.16 -56.7 2.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 108.031 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 25' ' ' GLU . 85.4 t -50.46 -52.1 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 109.295 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -54.03 -31.34 51.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.576 1.173 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.403 ' O ' HG21 ' A' ' 117' ' ' VAL . 51.0 tp60 -72.76 -47.97 42.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.85 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.7 OUTLIER -59.23 -54.67 44.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.44 ' NZ ' ' HA ' ' A' ' 164' ' ' LYS . 0.0 OUTLIER -63.97 -34.33 77.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.37 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 0.9 OUTLIER -53.03 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.424 1.078 . . . . 0.0 109.991 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.454 ' HB2' HG23 ' A' ' 117' ' ' VAL . 15.4 tp10 -52.62 -59.14 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 0.0 110.25 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.9 ' CE1' HD13 ' A' ' 82' ' ' LEU . 15.1 m-30 -46.56 -23.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 164' ' ' LYS . . . 138.56 89.41 0.2 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.459 1.099 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 168' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.224 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.28 125.71 44.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.862 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -173.07 65.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.581 HG22 HD11 ' A' ' 51' ' ' ILE . 1.1 mp -73.86 152.82 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.573 ' CA ' ' O ' ' A' ' 32' ' ' THR . . . -143.76 178.85 21.57 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.554 1.159 . . . . 0.0 111.02 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -135.56 115.79 13.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 0.776 . . . . 0.0 109.231 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.695 ' CD1' HD13 ' A' ' 50' ' ' LEU . 6.7 m-85 -124.06 113.58 18.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.59 ' OH ' ' CE1' ' A' ' 34' ' ' HIS . 0.6 OUTLIER -122.75 179.93 4.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 111.089 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.702 ' O ' HG23 ' A' ' 10' ' ' THR . . . -86.19 -40.57 7.4 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.558 1.162 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.702 HG23 ' O ' ' A' ' 9' ' ' GLY . 2.3 p -159.82 155.49 25.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.405 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.558 ' HB2' ' CD2' ' A' ' 8' ' ' TYR . 1.2 tp60 -178.33 -178.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 110.312 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.539 HG22 ' N ' ' A' ' 13' ' ' GLY . 16.2 m -145.89 -101.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.422 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.539 ' N ' HG22 ' A' ' 12' ' ' THR . . . 168.66 -157.99 30.41 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 15' ' ' THR . 1.5 ttpt -152.19 -99.34 0.05 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 0.715 . . . . 0.0 109.256 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.451 ' N ' ' CG ' ' A' ' 14' ' ' LYS . 10.6 t -59.01 -153.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.412 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' N ' ' OG1' ' A' ' 15' ' ' THR . 0.0 OUTLIER -38.79 -48.75 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.423 1.077 . . . . 0.0 110.284 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.469 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.5 OUTLIER -179.88 106.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -31.82 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.345 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.458 ' O ' HG22 ' A' ' 22' ' ' ILE . . . -53.62 -50.03 66.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 109.233 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -65.34 -30.28 71.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.8 mp -65.09 -56.26 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.157 ' CD1' ' CG2' ' A' ' 160' ' ' VAL . 7.1 tp -54.46 -44.43 67.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.163 . . . . 0.0 109.388 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.857 HH21 HD21 ' A' ' 33' ' ' LEU . 74.7 mtt180 -52.81 -50.52 63.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -56.44 -38.55 71.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.609 ' CB ' HG11 ' A' ' 160' ' ' VAL . 33.4 mm-40 -63.36 -50.06 71.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 1.194 ' CD1' ' HD3' ' A' ' 164' ' ' LYS . 2.1 m-85 -62.42 -44.84 95.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 111.035 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ASN . . . 86.87 -167.48 38.33 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.557 1.161 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.523 ' CB ' HG22 ' A' ' 30' ' ' VAL . 7.5 m-20 46.86 -171.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 0.723 . . . . 0.0 109.24 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.547 ' O ' HG22 ' A' ' 31' ' ' VAL . 19.2 m-20 -90.38 -6.52 54.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.862 HG12 ' HA ' ' A' ' 3' ' ' LYS . 3.3 m -65.23 99.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 29' ' ' ASP . 20.9 m -156.27 81.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.573 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 34.9 p -118.2 100.14 7.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.355 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.887 ' O ' HG22 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -107.29 161.22 14.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.59 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -51.25 -21.82 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.691 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.641 ' HB2' HD12 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -39.22 -30.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.541 1.151 . . . . 0.0 109.23 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.887 HG22 ' O ' ' A' ' 33' ' ' LEU . 10.9 m -78.37 55.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.0 t -74.13 -3.03 27.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.052 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -14.08 62.17 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.514 1.133 . . . . 0.0 110.309 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.54 -171.64 1.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -104.82 173.31 6.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 110.236 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.784 HG11 ' HB2' ' A' ' 75' ' ' ASP . 7.5 m -53.73 -20.69 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.404 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.2 t -53.64 -30.25 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.599 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.6 OUTLIER -49.49 -49.24 46.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.952 HD12 ' CE1' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -76.26 -38.94 55.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -46.16 -29.14 1.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.503 ' HB2' ' CE1' ' A' ' 47' ' ' TYR . 99.4 m-20 -78.12 -45.94 22.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.63 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -95.17 120.73 35.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.719 HE21 ' N ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -93.95 36.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.626 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -145.37 113.05 6.32 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.889 ' C ' HD13 ' A' ' 51' ' ' ILE . 69.1 mt -150.74 164.26 36.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.056 HG21 HD13 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -118.13 159.51 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 7' ' ' PHE . 1.4 pt -147.03 138.73 18.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.47 -74.41 1.13 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.12 . . . . 0.0 111.051 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 m -167.29 150.55 6.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -88.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.067 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.1 m -138.42 -56.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.334 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.485 ' O ' ' CG ' ' A' ' 57' ' ' TRP . 19.4 p-90 -176.02 61.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -125.5 135.62 52.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.453 1.095 . . . . 0.0 109.348 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.621 ' H ' HD13 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -133.96 146.26 31.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.167 . . . . 0.0 109.262 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.44 163.8 36.59 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.437 1.086 . . . . 0.0 110.96 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.88 -59.5 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.244 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -60.97 1.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -138.35 163.16 32.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.483 ' O ' ' HE3' ' A' ' 108' ' ' LYS . 5.8 t -166.29 136.81 3.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.013 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -147.85 165.89 29.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 4.2 p90 -174.86 132.93 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.059 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -71.39 148.55 46.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.89 -167.89 33.43 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.427 1.079 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.67 85.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 0.787 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -138.79 178.1 7.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.068 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.747 ' C ' HG12 ' A' ' 41' ' ' VAL . 9.4 t -107.59 45.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.019 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.18 -173.25 2.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.197 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.802 HD22 ' N ' ' A' ' 74' ' ' ASP . 0.0 OUTLIER -53.95 -26.32 24.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.802 ' N ' HD22 ' A' ' 73' ' ' LEU . 0.5 OUTLIER -45.58 -26.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.784 ' HB2' HG11 ' A' ' 41' ' ' VAL . 4.1 m-20 -99.62 -33.87 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.743 HG21 HD11 ' A' ' 44' ' ' LEU . 12.1 t -75.24 138.14 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.414 1.071 . . . . 0.0 109.348 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.03 51.16 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.952 ' CE1' HD12 ' A' ' 44' ' ' LEU . 1.1 m-30 -50.69 97.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 111.075 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.617 ' HA ' ' HA2' ' A' ' 113' ' ' GLY . 1.7 m-80 -133.82 60.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.421 ' HA2' ' CA ' ' A' ' 114' ' ' GLY . . . 137.04 58.46 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.621 ' HG3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -142.04 168.37 19.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.364 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.2 OUTLIER -97.99 129.11 44.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.518 HG23 HG22 ' A' ' 116' ' ' THR . 0.1 OUTLIER -137.29 130.59 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.358 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 1.112 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -101.56 142.04 33.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 117' ' ' VAL . 0.1 OUTLIER -121.58 144.82 48.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.991 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 1.146 ' CD2' ' CD1' ' A' ' 159' ' ' TRP . 5.8 t80 -91.0 -47.5 7.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.498 ' C ' HG23 ' A' ' 88' ' ' THR . . . -169.85 154.92 24.39 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.498 HG23 ' C ' ' A' ' 87' ' ' GLY . 26.1 p -156.92 -166.32 2.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 0.781 . . . . 0.0 110.38 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -54.75 149.22 20.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.15 148.68 42.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 0.818 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 179.99 160.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.511 HG23 ' N ' ' A' ' 93' ' ' GLY . 1.4 tt -41.33 -57.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.511 ' N ' HG23 ' A' ' 92' ' ' ILE . . . 62.39 122.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -125.03 93.88 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 0.0 111.075 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.94 142.97 57.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 97' ' ' ASN . 0.7 OUTLIER -108.22 148.97 29.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 96' ' ' ASP . 12.6 t-20 75.6 160.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -77.16 168.39 20.15 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.29 125.64 27.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.1 t0 179.99 123.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.57 -51.23 21.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.374 1.046 . . . . 0.0 109.266 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.522 ' H ' HD12 ' A' ' 102' ' ' ILE . 5.1 mp -78.88 125.79 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.417 1.073 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' ILE . . . 137.19 -90.15 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.565 1.166 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' GLY . 32.9 pt -40.53 147.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 0.8 . . . . 0.0 109.249 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.618 HD11 ' HD2' ' A' ' 112' ' ' ARG . 1.1 tm? -171.61 114.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.445 ' O ' HD13 ' A' ' 105' ' ' LEU . 1.8 tp10 -93.92 -149.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 0.0 110.321 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -143.13 42.08 1.53 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.483 ' HE3' ' O ' ' A' ' 64' ' ' SER . 1.2 mttt -158.71 166.46 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.562 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.2 mp -51.86 -32.11 14.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.62 1.2 . . . . 0.0 109.358 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.671 ' O ' HG23 ' A' ' 116' ' ' THR . 4.5 m -39.43 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.944 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -93.32 -44.18 8.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.618 ' HD2' HD11 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -58.91 -29.1 66.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.617 ' HA2' ' HA ' ' A' ' 79' ' ' ASN . . . -83.29 45.81 3.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.621 1.201 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.421 ' CA ' ' HA2' ' A' ' 80' ' ' GLY . . . 82.61 -112.48 3.52 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -133.46 146.61 51.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 110' ' ' SER . 0.9 OUTLIER -117.81 122.03 42.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 110.401 -179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.917 HG21 ' HB3' ' A' ' 166' ' ' GLU . 5.1 p -103.62 176.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 117' ' ' VAL . . . 119.46 36.37 0.86 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.465 1.103 . . . . 0.0 111.053 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 118' ' ' GLY . 2.2 m-85 -173.01 -168.3 0.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 0.723 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.42 ' CD1' ' N ' ' A' ' 120' ' ' TRP . 0.0 OUTLIER -154.85 -65.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.87 150.14 42.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.4 m -123.61 -69.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -126.41 112.31 15.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 54.31 -138.75 39.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.434 1.083 . . . . 0.0 111.016 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -120.54 142.05 49.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.592 0.819 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.02 115.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.395 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -74.43 138.53 43.37 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -87.72 158.26 18.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -125.66 152.59 45.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 16.4 m -146.66 163.28 36.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -145.38 124.57 12.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -152.62 136.72 16.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 tp -111.61 72.14 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.38 160.88 9.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.378 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -54.1 146.2 15.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 126.7 134.56 4.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.25 162.75 33.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 0.815 . . . . 0.0 109.301 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.479 ' CD2' ' O ' ' A' ' 138' ' ' PHE . 43.3 p90 -129.35 124.59 34.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 33.4 m -127.41 164.29 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 141.74 142.99 4.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.533 1.146 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.6 mt -103.05 113.58 27.17 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 0.785 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -116.94 132.12 56.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.538 1.149 . . . . 0.0 109.349 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -173.28 132.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.568 1.168 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -102.76 103.7 13.94 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -80.4 -59.95 2.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.368 1.043 . . . . 0.0 110.235 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -44.67 155.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -129.49 166.33 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 109.382 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -126.44 172.35 10.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 t 179.96 139.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.104 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -162.22 -173.18 3.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.481 ' CD2' ' NH2' ' A' ' 155' ' ' ARG . 3.7 mp -130.84 -177.66 4.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 2.4 m -163.89 146.93 9.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -50.31 -60.59 2.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.3 60.77 3.2 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.133 . . . . 0.0 109.378 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.481 ' NH2' ' CD2' ' A' ' 151' ' ' LEU . 21.4 ttm180 -75.82 -45.79 34.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.392 1.057 . . . . 0.0 110.26 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -51.46 -41.99 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.593 ' HE3' ' OE1' ' A' ' 25' ' ' GLU . 12.5 mttp -68.45 -30.65 69.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.222 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -55.73 10.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.423 1.077 . . . . 0.0 109.952 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 1.146 ' CD1' ' CD2' ' A' ' 86' ' ' PHE . 38.9 t90 -63.26 -53.7 48.76 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 1.157 ' CG2' ' CD1' ' A' ' 22' ' ' ILE . 51.7 t -50.67 -50.01 23.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 157' ' ' LYS . . . -63.57 -31.42 72.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.176 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -58.62 -56.42 22.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.33 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 1.056 HD13 HG21 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -74.35 -54.68 7.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 1.194 ' HD3' ' CD1' ' A' ' 26' ' ' PHE . 21.1 mmmt -44.34 -59.49 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.396 1.06 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 39.9 m -55.28 -46.67 76.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.028 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.917 ' HB3' HG21 ' A' ' 117' ' ' VAL . 0.4 OUTLIER -54.93 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 1.364 ' CE1' HD13 ' A' ' 82' ' ' LEU . 15.2 m-85 -40.42 -31.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.394 1.059 . . . . 0.0 110.993 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -77.29 -88.52 0.34 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 110.979 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 20.9 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 109.257 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -175.21 -57.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.784 ' HA ' HG12 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -176.29 66.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.961 HD13 ' CE1' ' A' ' 26' ' ' PHE . 1.7 mp -73.61 150.07 7.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.672 ' C ' HD23 ' A' ' 6' ' ' LEU . . . -139.5 -178.18 16.35 Favored Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.542 1.151 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.702 HD12 HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -138.63 116.43 11.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 1.095 ' CE2' HD23 ' A' ' 44' ' ' LEU . 39.9 m-85 -132.48 118.59 19.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.638 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -129.85 179.93 5.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 10' ' ' THR . . . -86.21 -55.79 2.42 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 10' ' ' THR . 8.7 t -174.88 115.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.512 ' CD ' ' CD2' ' A' ' 8' ' ' TYR . 3.9 pt20 -139.6 -58.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 13' ' ' GLY . 3.7 m -159.4 170.8 20.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.499 ' N ' HG22 ' A' ' 12' ' ' THR . . . 155.03 94.18 0.1 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.446 1.091 . . . . 0.0 111.037 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.9 pttt -123.39 -56.99 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.373 0.69 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.512 ' CG2' ' N ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -142.04 169.0 18.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.512 ' N ' ' CG2' ' A' ' 15' ' ' THR . 0.3 OUTLIER -79.5 139.66 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.507 ' O ' HD12 ' A' ' 21' ' ' ILE . 4.4 m -179.93 -68.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.018 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.885 ' O ' HG22 ' A' ' 22' ' ' ILE . 29.3 m -55.15 -47.78 76.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.412 1.07 . . . . 0.0 109.382 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 23' ' ' ARG . . . -51.64 -28.1 13.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.29 -38.44 60.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.781 HG21 HG21 ' A' ' 156' ' ' ILE . 3.1 mp -71.13 -55.72 12.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 109.226 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.919 ' CD1' HG22 ' A' ' 160' ' ' VAL . 1.4 tp -58.61 -33.33 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.628 ' CG ' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -69.19 -56.92 6.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.067 . . . . 0.0 110.295 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.51 ' N ' ' CD ' ' A' ' 23' ' ' ARG . 4.5 t0 -70.02 -16.98 63.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.78 ' HG3' HG11 ' A' ' 160' ' ' VAL . 16.3 tp10 -79.5 -49.86 11.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.256 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.961 ' CE1' HD13 ' A' ' 4' ' ' ILE . 0.3 OUTLIER -46.79 -23.18 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.142 . . . . 0.0 111.006 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.09 -45.58 1.55 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.388 1.055 . . . . 0.0 111.026 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.736 ' HB3' HG22 ' A' ' 30' ' ' VAL . 5.5 t-20 -95.49 -153.24 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.374 0.691 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.643 ' O ' HG12 ' A' ' 31' ' ' VAL . 79.0 m-20 -110.98 2.47 18.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.17 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' A' ' 3' ' ' LYS . 1.8 m -62.47 99.26 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.678 HG22 ' O ' ' A' ' 31' ' ' VAL . 0.1 OUTLIER -156.92 89.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.605 1.191 . . . . 0.0 109.31 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.556 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 40.6 p -121.29 99.88 6.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.067 . . . . 0.0 110.42 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.971 HD13 ' HB2' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -111.55 165.96 11.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.376 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.606 ' CE1' ' OH ' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -56.28 -20.96 20.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.681 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.971 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.6 t70 -39.12 -30.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 33' ' ' LEU . 15.1 m -85.03 49.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.117 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 t -58.13 -15.99 11.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 110.025 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 38' ' ' GLN . 1.0 OUTLIER -71.0 -5.63 32.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -111.42 -171.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -108.82 170.24 8.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.426 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 2.8 p -65.4 -11.79 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.477 ' HA ' ' CB ' ' A' ' 45' ' ' ASN . 4.9 p -57.43 -27.59 62.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.456 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.602 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -50.96 -53.8 29.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.095 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.1 pp -77.14 -34.76 56.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.225 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.911 ' N ' HD12 ' A' ' 44' ' ' LEU . 57.9 t30 -47.45 -31.06 3.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.06 -40.33 15.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.634 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -96.12 111.94 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 110.994 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.606 ' HG2' ' CE2' ' A' ' 49' ' ' TYR . 2.5 pt20 -86.58 40.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.606 ' CE2' ' HG2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -147.85 113.02 5.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.952 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.032 ' C ' HD13 ' A' ' 51' ' ' ILE . 2.8 mt -146.65 165.23 30.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.032 HD13 ' C ' ' A' ' 50' ' ' LEU . 1.2 mm -117.02 159.51 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.406 1.066 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.805 HD12 ' CD1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -144.12 142.15 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.01 97.05 0.5 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.444 1.09 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.475 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -160.12 167.3 14.16 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 169.56 22.35 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.559 1.82 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 61.5 p -95.29 167.87 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.537 1.148 . . . . 0.0 110.427 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -178.63 139.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 108.003 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 p30 174.57 163.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.402 1.064 . . . . 0.0 109.335 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.6 mp -142.68 -82.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.25 75.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -162.38 171.6 16.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.267 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.5 tp -131.11 90.4 2.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -168.57 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 m -51.19 142.49 12.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.408 1.068 . . . . 0.0 109.964 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -147.78 134.55 20.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.622 1.201 . . . . 0.0 109.321 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -135.7 154.7 51.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 107.903 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.04 138.24 43.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -60.63 -126.63 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.44 1.088 . . . . 0.0 110.947 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.28 -49.78 1.92 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.52 0.777 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 t80 179.95 -36.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.39 66.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.496 1.122 . . . . 0.0 109.946 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -105.36 -175.98 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.936 ' CD1' HG21 ' A' ' 109' ' ' ILE . 2.6 pp -53.54 -27.11 24.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.602 1.189 . . . . 0.0 109.321 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.402 ' HA ' HD13 ' A' ' 109' ' ' ILE . 6.8 t70 -69.29 -21.53 63.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -77.93 -55.62 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.397 1.061 . . . . 0.0 109.28 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.531 HG21 ' CD1' ' A' ' 44' ' ' LEU . 3.3 m -62.98 141.15 18.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -75.8 57.46 1.03 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.43 ' CZ ' HD13 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -58.85 127.23 31.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 111.091 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 81' ' ' LYS . 1.2 m-80 -139.56 155.38 47.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 36.72 32.22 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.579 ' HZ3' ' N ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -93.58 170.62 9.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 0.718 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.954 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.0 OUTLIER -110.68 129.66 55.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.579 ' N ' ' HZ3' ' A' ' 81' ' ' LYS . 1.4 t -135.2 123.56 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.892 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.05 138.94 38.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.805 ' CD1' HD12 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -113.92 145.19 41.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 110.962 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.731 ' CD1' ' CD1' ' A' ' 159' ' ' TRP . 6.8 t80 -103.1 69.42 1.02 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -168.21 -156.44 10.26 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.537 1.148 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 14.5 t -174.44 154.94 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 0.769 . . . . 0.0 110.355 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -149.54 173.2 29.4 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.24 162.01 15.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.54 169.29 4.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.3 tp -50.55 149.44 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -69.95 -133.85 0.08 OUTLIER Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.481 1.113 . . . . 0.0 110.946 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.581 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 28.6 p90 -38.15 117.45 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 94' ' ' TYR . . . 171.16 124.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -146.77 142.95 28.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -169.13 158.5 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -123.55 147.42 47.29 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -163.66 170.81 16.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -111.1 -55.92 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.7 168.88 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 103' ' ' GLY . 2.6 tp -171.19 -50.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.077 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 102' ' ' ILE . . . -48.33 177.06 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 1.1 tp -170.28 -44.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.34 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 mp -118.76 138.81 52.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.375 1.047 . . . . 0.0 109.188 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -164.81 -96.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.61 -84.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.383 1.052 . . . . 0.0 110.323 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 112' ' ' ARG . 14.1 mttt -117.81 -172.65 2.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.936 HG21 ' CD1' ' A' ' 73' ' ' LEU . 1.9 mp -51.97 -32.21 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.53 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.41 -42.09 9.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 108' ' ' LYS . 11.3 ttp180 -58.56 -48.16 81.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' ARG . . . -36.9 -55.42 1.41 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 169.92 -118.0 0.74 Allowed Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -104.85 146.43 29.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 0.779 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.1 t -125.85 125.98 43.73 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 110.416 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.845 HG22 ' HA ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -96.73 144.41 10.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -177.34 58.47 0.1 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.369 1.043 . . . . 0.0 111.013 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.517 ' CE1' ' OE1' ' A' ' 166' ' ' GLU . 0.8 OUTLIER -50.58 179.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.448 0.734 . . . . 0.0 111.006 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -85.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.52 171.88 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 110.014 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 38.4 m -136.12 109.8 8.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 146' ' ' ASP . 0.4 OUTLIER -160.16 116.06 2.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.214 -179.878 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -169.09 152.22 19.51 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.426 1.079 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.28 163.13 17.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 0.788 . . . . 0.0 110.974 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -94.04 -57.28 2.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -62.17 115.96 4.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -95.67 89.46 5.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 0.0 109.354 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -175.37 124.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 10.1 p -73.41 -42.52 61.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.025 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -166.78 1.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -135.1 -53.11 0.79 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.34 173.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.482 ' O ' ' CB ' ' A' ' 135' ' ' ASN . 1.1 mpt_? -85.07 154.21 22.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . 0.482 ' CB ' ' O ' ' A' ' 134' ' ' ARG . 1.3 m-20 157.5 -173.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.01 -109.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.586 1.179 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.41 169.81 15.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -170.74 145.46 2.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 110.95 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 33.2 m -73.54 178.78 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 O-C-N 124.392 1.058 . . . . 0.0 109.33 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -162.0 -169.68 25.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.7 mt -130.64 176.29 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -159.68 168.36 26.19 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.577 1.173 . . . . 0.0 109.36 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.8 mt -132.8 177.86 7.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.36 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.57 97.45 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.24 -59.3 2.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.385 1.053 . . . . 0.0 110.354 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.437 ' HB3' ' CB ' ' A' ' 123' ' ' ASP . 10.3 p-10 -40.54 122.8 1.7 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.373 1.046 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.5 129.23 24.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -49.48 114.29 1.01 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.06 -83.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 110.006 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 23.0 p30 -157.9 -174.04 4.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 151' ' ' LEU . 0.4 OUTLIER -80.46 -174.6 4.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 153' ' ' ASP . 86.5 m -157.28 169.79 23.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 110.35 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 152' ' ' THR . 15.1 t0 -70.37 -13.46 62.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.462 ' HB2' ' CD ' ' A' ' 157' ' ' LYS . 3.4 p-10 -92.97 28.78 2.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 7.4 ttp-105 -75.88 -56.63 4.49 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.781 HG21 HG21 ' A' ' 21' ' ' ILE . 1.7 pp -59.17 -42.86 88.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.664 ' O ' ' HB2' ' A' ' 161' ' ' ALA . 3.8 pttt -62.71 -31.8 72.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.07 -56.86 4.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.771 ' CZ2' HG21 ' A' ' 51' ' ' ILE . 51.7 t90 -55.96 -59.37 5.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 108.038 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.919 HG22 ' CD1' ' A' ' 22' ' ' ILE . 54.1 t -51.21 -35.46 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 157' ' ' LYS . . . -69.08 -31.65 70.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.419 ' O ' ' CG ' ' A' ' 166' ' ' GLU . 24.4 tt0 -69.04 -35.99 77.21 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.48 1.113 . . . . 0.0 110.34 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.743 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.2 OUTLIER -76.32 -53.67 7.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.572 ' HD3' ' CE1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -58.08 -41.03 82.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 161' ' ' ALA . 33.3 m -62.19 -67.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.517 ' OE1' ' CE1' ' A' ' 119' ' ' TYR . 3.8 mm-40 -45.11 -55.95 5.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 0.954 ' CE1' HD13 ' A' ' 82' ' ' LEU . 22.2 m-30 -60.81 -23.07 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 169' ' ' LEU . . . 139.34 84.74 0.11 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 169' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.541 0.789 . . . . 0.0 109.323 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.531 ' N ' ' CE2' ' A' ' 49' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.707 ' O ' ' C ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -159.25 168.56 26.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.707 ' C ' ' O ' ' A' ' 2' ' ' LYS . 12.5 ttmt 4.88 75.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.74 HD13 ' CE1' ' A' ' 26' ' ' PHE . 1.0 OUTLIER -74.18 146.42 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.933 ' O ' HD12 ' A' ' 51' ' ' ILE . . . -145.75 -172.55 16.22 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.144 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.982 ' O ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.95 130.02 15.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 0.804 . . . . 0.0 109.251 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.941 ' CE2' HD23 ' A' ' 44' ' ' LEU . 11.2 m-85 -130.33 123.49 30.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.593 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -123.89 179.91 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.061 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.52 -178.16 51.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 10' ' ' THR . 5.0 t -136.2 110.1 8.19 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.541 0.789 . . . . 0.0 110.405 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -179.99 -48.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.284 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.1 m -150.02 81.23 1.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.43 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 167.54 69.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.426 1.079 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.7 81.18 1.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 0.733 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 p -116.48 107.87 15.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 3.9 pt-20 -104.85 70.07 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.229 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.564 ' O ' HD12 ' A' ' 21' ' ' ILE . 2.5 m -168.68 -41.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 22' ' ' ILE . 29.2 m -55.34 -36.31 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . . . -65.35 -27.5 68.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.93 -45.75 56.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.692 ' CG2' HD13 ' A' ' 156' ' ' ILE . 3.5 mp -59.84 -53.54 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 23' ' ' ARG . 2.2 tp -54.68 -54.89 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.492 ' C ' ' CD ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -49.74 -49.92 46.32 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.419 1.075 . . . . 0.0 110.299 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -64.6 -25.59 68.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.605 1.191 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 1.123 ' HB3' HG21 ' A' ' 160' ' ' VAL . 4.5 mm-40 -77.01 -50.06 13.98 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.74 ' CE1' HD13 ' A' ' 4' ' ' ILE . 1.1 m-85 -52.36 -20.22 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 -77.65 1.27 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.36 1.037 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.755 ' CB ' HG22 ' A' ' 30' ' ' VAL . 4.2 m-80 -43.58 165.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.574 ' O ' HG12 ' A' ' 31' ' ' VAL . 2.6 m-20 -75.61 -2.98 31.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.755 HG22 ' CB ' ' A' ' 28' ' ' ASN . 3.5 m -63.99 100.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 31' ' ' VAL . 0.2 OUTLIER -155.0 88.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.569 ' O ' ' CA ' ' A' ' 5' ' ' GLY . 66.8 p -117.73 116.57 27.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.9 HD13 ' CB ' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -112.52 156.77 22.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.411 1.069 . . . . 0.0 109.328 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.522 ' HB3' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -79.51 2.99 20.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.632 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.9 ' CB ' HD13 ' A' ' 33' ' ' LEU . 25.2 t70 -36.93 -33.42 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' HIS . 22.4 m -85.41 48.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 34' ' ' HIS . 1.7 p -50.42 -20.77 1.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 109.907 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -6.14 31.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.395 1.059 . . . . 0.0 110.371 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -94.16 -171.34 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' HB3' HG22 ' A' ' 42' ' ' THR . 1.0 OUTLIER -103.71 159.69 15.41 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 110.231 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.82 HG12 ' HA ' ' A' ' 71' ' ' SER . 2.5 m -65.46 -11.67 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.195 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.464 HG22 ' HB3' ' A' ' 40' ' ' GLU . 5.8 t -53.59 -26.98 24.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 0.0 110.388 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.591 ' O ' ' CE2' ' A' ' 47' ' ' TYR . 0.2 OUTLIER -66.61 -53.61 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.941 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.7 pp -69.83 -23.23 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.537 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -75.66 -30.21 59.36 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.34 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 20.6 m-20 -67.1 -39.47 86.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.247 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.639 ' N ' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -101.18 143.35 31.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.2 OUTLIER -108.19 39.77 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -154.7 111.56 3.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.583 HD22 ' CD1' ' A' ' 7' ' ' PHE . 14.4 mt -147.78 165.54 30.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.933 HD12 ' O ' ' A' ' 5' ' ' GLY . 3.3 mp -129.87 160.43 40.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.613 1.196 . . . . 0.0 109.311 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.663 HD11 HD21 ' A' ' 73' ' ' LEU . 5.9 mm -113.91 150.85 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -97.64 -66.34 0.9 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.79 150.37 36.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.92 42.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.446 1.761 . . . . 0.0 110.951 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.8 m -110.58 107.88 17.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -44.18 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -143.86 179.32 7.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.4 1.063 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -112.33 -45.69 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 60.2 150.44 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.54 1.15 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.74 131.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 0.73 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt -140.96 -61.75 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 1.072 . . . . 0.0 109.327 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -164.3 85.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.386 1.054 . . . . 0.0 110.254 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.2 t -150.54 140.98 22.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.014 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.82 -62.07 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 4.2 m-90 -80.7 144.45 32.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.006 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -163.98 -43.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.243 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 136.61 116.11 1.51 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.373 1.046 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.58 123.43 43.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -127.67 -76.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.82 ' HA ' HG12 ' A' ' 41' ' ' VAL . 3.0 t -170.47 72.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.046 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.18 116.14 31.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.059 HD12 HD13 ' A' ' 109' ' ' ILE . 0.3 OUTLIER -51.31 -25.73 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.541 ' HA ' HD12 ' A' ' 109' ' ' ILE . 0.4 OUTLIER -61.55 -20.33 63.15 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 76' ' ' VAL . 5.5 m-20 -78.39 -65.34 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.717 HG21 ' CE1' ' A' ' 78' ' ' PHE . 10.5 m -44.14 166.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -101.79 52.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.358 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.717 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.8 m-85 -47.54 131.52 14.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' GLY . 1.3 m-80 -139.61 150.13 44.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 79' ' ' ASN . . . 37.04 46.11 1.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.82 ' HZ3' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.08 172.69 7.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.722 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.068 HD13 ' CE1' ' A' ' 167' ' ' PHE . 1.1 pp -114.88 133.76 55.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.82 HG22 ' HZ3' ' A' ' 81' ' ' LYS . 9.5 m -134.85 121.58 34.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 0.0 109.365 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 167' ' ' PHE . . . -102.11 161.2 13.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.67 125.34 41.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.401 ' O ' HG22 ' A' ' 88' ' ' THR . 1.6 t80 -39.7 159.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -56.27 107.14 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.599 1.187 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 86' ' ' PHE . 9.1 t -158.99 162.14 36.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 0.756 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -98.36 114.64 5.07 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.42 1.075 . . . . 0.0 111.005 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -147.98 -52.88 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 0.71 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -123.67 171.68 9.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.9 tt -165.99 124.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.01 147.52 8.64 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.037 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.601 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 4.8 m-85 -82.47 -55.84 4.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.589 0.817 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 94' ' ' TYR . . . 77.4 -63.35 0.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.89 170.33 19.63 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.607 1.192 . . . . 0.0 109.291 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.11 -49.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 1.065 . . . . 0.0 109.212 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.32 117.88 28.6 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -131.68 175.16 9.42 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.62 1.2 . . . . 0.0 110.243 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -166.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.22 -74.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.3 pt -40.57 123.28 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -137.53 -135.03 3.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.764 HG23 ' N ' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -124.78 -151.21 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.335 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.764 ' N ' HG23 ' A' ' 104' ' ' ILE . 0.5 OUTLIER -69.35 65.5 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.527 ' CA ' ' HB3' ' A' ' 112' ' ' ARG . 0.5 OUTLIER -36.73 130.17 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.702 ' HG3' HH21 ' A' ' 112' ' ' ARG . 35.9 mt-10 -118.59 -83.04 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.264 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 112' ' ' ARG . 13.4 mttt -52.17 106.28 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 1.059 HD13 HD12 ' A' ' 73' ' ' LEU . 54.3 mt -48.82 -32.02 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.0 m -40.23 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.34 -48.09 6.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.107 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.702 HH21 ' HG3' ' A' ' 107' ' ' GLU . 3.9 mmm-85 -58.78 -21.4 55.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.478 ' O ' ' HE3' ' A' ' 81' ' ' LYS . . . -94.67 -25.96 14.27 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.407 1.067 . . . . 0.0 111.005 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.37 -126.15 1.57 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.82 146.52 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 12.6 t -130.41 133.11 46.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.415 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.712 HG11 ' CB ' ' A' ' 166' ' ' GLU . 9.3 m -120.74 141.39 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 173.72 79.79 0.05 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.568 1.167 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -103.35 -175.81 2.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 0.768 . . . . 0.0 111.066 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -120.58 -69.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.03 94.9 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.96 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 8.9 t -100.87 165.56 11.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.453 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -168.5 95.55 0.38 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 56.36 -144.67 36.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.426 1.079 . . . . 0.0 111.074 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -144.32 61.62 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -44.16 -44.71 7.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -59.46 156.51 12.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -136.87 167.4 21.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -45.77 132.4 8.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 11.2 m -60.83 164.51 4.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.7 pttt -67.65 174.11 3.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.595 1.185 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -104.24 157.56 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.61 151.57 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 109.375 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -48.52 118.37 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -41.79 158.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.441 1.088 . . . . 0.0 109.217 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 142.35 -138.7 8.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.417 1.073 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -78.58 140.43 38.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . 0.531 ' O ' HG13 ' A' ' 139' ' ' VAL . 18.6 p90 -72.65 125.94 28.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 138' ' ' PHE . 26.9 m -157.32 164.57 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 111.3 114.28 3.45 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.467 1.104 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 mt -134.16 91.63 2.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.622 ' O ' HD12 ' A' ' 143' ' ' LEU . . . -158.04 133.0 8.55 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 142' ' ' ALA . 0.6 OUTLIER -164.97 139.01 4.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -111.78 57.59 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -79.07 -47.27 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 110.277 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -40.41 129.2 2.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.516 1.135 . . . . 0.0 109.353 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -138.8 179.59 6.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -77.04 -179.87 5.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.327 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.12 -179.96 3.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.585 1.178 . . . . 0.0 110.053 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -161.5 179.76 7.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.22 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 164.62 13.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 14.2 m -157.25 146.65 20.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.342 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.79 -19.47 61.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.612 1.195 . . . . 0.0 109.381 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . 0.465 ' HB3' ' CD ' ' A' ' 157' ' ' LYS . 6.2 m-20 -92.54 34.71 1.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.13 -32.09 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.24 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.86 HD12 ' HG2' ' A' ' 25' ' ' GLU . 8.7 pt -72.05 -39.66 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.465 ' CD ' ' HB3' ' A' ' 154' ' ' ASP . 0.0 OUTLIER -60.48 -35.58 76.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.128 . . . . 0.0 109.355 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 33.3 t -73.38 -65.13 0.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.842 ' CZ3' HD11 ' A' ' 163' ' ' LEU . 47.4 t90 -43.49 -53.01 5.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 1.123 HG21 ' HB3' ' A' ' 25' ' ' GLU . 65.9 t -51.57 -51.84 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -55.19 -31.98 61.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -46.43 68.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.842 HD11 ' CZ3' ' A' ' 159' ' ' TRP . 0.3 OUTLIER -63.25 -53.87 46.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.451 ' NZ ' ' HA ' ' A' ' 164' ' ' LYS . 0.1 OUTLIER -62.05 -29.45 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.241 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.633 ' O ' HD23 ' A' ' 169' ' ' LEU . 0.4 OUTLIER -59.93 -63.33 1.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.045 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.712 ' CB ' HG11 ' A' ' 117' ' ' VAL . 0.0 OUTLIER -67.83 -55.84 11.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 1.068 ' CE1' HD13 ' A' ' 82' ' ' LEU . 10.1 m-30 -37.11 -54.59 0.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.958 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 179.77 71.47 0.07 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.547 1.155 . . . . 0.0 110.994 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 165' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.396 0.703 . . . . 0.0 109.193 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.493 ' C ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -135.74 83.9 2.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.598 ' HA ' HG12 ' A' ' 30' ' ' VAL . 3.0 ttmt -169.43 51.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 49' ' ' TYR . 0.9 OUTLIER -72.96 165.86 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.628 ' HA3' ' O ' ' A' ' 32' ' ' THR . . . -170.76 -153.09 8.56 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.718 HD13 HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -149.01 126.04 11.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.274 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.94 ' CE2' HD23 ' A' ' 44' ' ' LEU . 13.7 m-85 -128.25 112.51 14.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.596 ' N ' ' CD1' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -146.6 110.07 4.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.994 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.6 -50.26 31.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.9 m -70.17 103.3 2.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 0.749 . . . . 0.0 110.374 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.582 ' HB3' ' CD2' ' A' ' 8' ' ' TYR . 2.8 pp0? -162.25 138.02 7.45 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.2 m -43.98 -61.95 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.18 -81.93 0.3 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.44 1.087 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.59 -52.92 2.81 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 0.752 . . . . 0.0 109.331 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 67.0 p -71.8 99.95 2.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -125.07 90.89 3.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 8.0 t -142.1 -46.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 22' ' ' ILE . 9.0 p -55.07 -39.65 51.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.539 ' HB1' HD22 ' A' ' 33' ' ' LEU . . . -56.28 -40.72 74.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -37.85 87.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 17' ' ' SER . 2.0 mp -63.33 -58.35 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.559 HG12 HD21 ' A' ' 6' ' ' LEU . 7.0 tp -53.98 -48.75 63.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.708 ' HG3' HD21 ' A' ' 33' ' ' LEU . 43.5 mtm180 -54.02 -41.97 68.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.68 -30.06 63.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.97 ' HB3' HG21 ' A' ' 160' ' ' VAL . 3.4 mm-40 -66.87 -51.29 57.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.768 ' CE2' ' CE ' ' A' ' 164' ' ' LYS . 1.3 m-85 -44.62 -32.99 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.76 70.83 0.86 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.557 1.161 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 1.003 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.4 OUTLIER 171.55 162.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 109.313 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -62.47 -13.98 36.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.003 HG22 ' HB3' ' A' ' 28' ' ' ASN . 16.8 m -70.32 97.98 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 30' ' ' VAL . 17.2 m -157.22 80.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.579 1.174 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.628 ' O ' ' HA3' ' A' ' 5' ' ' GLY . 37.2 p -123.2 95.85 4.77 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.512 1.133 . . . . 0.0 110.363 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.718 HD23 HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -113.84 174.22 6.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.484 ' O ' ' C ' ' A' ' 35' ' ' ASP . 17.5 p-80 -38.24 -30.74 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 109.584 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.637 ' HB3' HD12 ' A' ' 33' ' ' LEU . 3.9 t70 -33.34 -39.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 33' ' ' LEU . 33.3 m -80.85 52.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.0 p -73.2 -21.39 60.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.06 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -30.88 67.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.417 ' HB1' ' OD1' ' A' ' 43' ' ' ASP . . . -91.47 131.69 36.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' HB2' HG22 ' A' ' 42' ' ' THR . 2.4 mt-10 -54.58 175.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.762 ' CG2' HD11 ' A' ' 44' ' ' LEU . 4.4 p -61.0 -13.83 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.432 HG22 ' HB2' ' A' ' 40' ' ' GLU . 6.4 t -55.37 -25.81 37.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.364 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.66 ' O ' ' CD2' ' A' ' 47' ' ' TYR . 0.5 OUTLIER -61.03 -55.9 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.94 HD23 ' CE2' ' A' ' 7' ' ' PHE . 3.1 pp -69.04 -28.22 66.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.773 ' N ' HD12 ' A' ' 44' ' ' LEU . 13.2 t30 -56.15 -40.49 73.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.587 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 0.9 OUTLIER -75.83 -31.37 59.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.66 ' CD2' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -117.11 71.18 0.79 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.549 ' C ' ' CG ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -65.14 62.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.264 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.668 ' O ' HD23 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -158.27 105.37 1.9 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.872 HD13 ' CD1' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -158.47 165.36 34.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.788 ' CG1' ' HB3' ' A' ' 84' ' ' ALA . 2.4 mt -98.39 159.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.539 HD11 ' CE1' ' A' ' 85' ' ' TYR . 2.7 pp -146.29 153.84 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -132.68 78.54 0.36 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 93.0 m -146.55 155.99 49.07 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.488 ' CB ' ' HB2' ' A' ' 58' ' ' ASN . 18.2 Cg_endo -75.02 169.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.536 1.809 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.785 HG23 ' CD1' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -126.88 -40.84 1.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.459 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.785 ' CD1' HG23 ' A' ' 56' ' ' THR . 1.8 p-90 -130.07 17.39 5.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.61 1.194 . . . . 0.0 108.078 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.488 ' HB2' ' CB ' ' A' ' 55' ' ' PRO . 2.9 t-20 -39.66 107.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 58' ' ' ASN . 4.0 tp -38.07 143.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.7 178.08 15.24 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.516 1.135 . . . . 0.0 111.068 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -148.05 58.3 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.53 158.58 19.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.88 159.63 15.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.228 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 83.3 p -117.25 172.24 7.43 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -62.84 170.57 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 19.1 t90 -114.02 -60.02 1.94 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.564 1.165 . . . . 0.0 107.997 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -98.78 160.37 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 110.289 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.59 -71.88 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.57 1.169 . . . . 0.0 111.091 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.84 171.45 14.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 0.769 . . . . 0.0 109.359 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 14.9 p90 -109.35 68.29 0.67 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.6 t -176.77 38.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.37 129.19 52.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.448 ' HA ' HG22 ' A' ' 76' ' ' VAL . 1.1 pp -51.94 -25.04 7.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.745 ' HA ' HD11 ' A' ' 109' ' ' ILE . 3.2 t0 -50.67 -21.11 1.44 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 73' ' ' LEU . 0.4 OUTLIER -76.87 -62.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.233 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.687 HG21 ' CE1' ' A' ' 78' ' ' PHE . 31.2 m -57.92 147.07 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 78' ' ' PHE . 6.9 m-20 -88.5 49.87 1.87 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.633 1.208 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.687 ' CE1' HG21 ' A' ' 76' ' ' VAL . 1.6 m-30 -35.92 113.81 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.11 128.68 30.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.296 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' CA ' ' HA3' ' A' ' 114' ' ' GLY . . . 67.63 9.35 55.44 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.768 ' CD ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -77.6 176.1 9.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.582 0.813 . . . . 0.0 109.261 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.205 HD13 ' CE1' ' A' ' 167' ' ' PHE . 0.3 OUTLIER -112.9 131.92 55.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.768 HG13 ' CD ' ' A' ' 81' ' ' LYS . 12.1 m -138.99 129.11 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.788 ' HB3' ' CG1' ' A' ' 51' ' ' ILE . . . -98.86 157.25 16.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.539 ' CE1' HD11 ' A' ' 52' ' ' ILE . 4.6 m-85 -120.46 132.46 55.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.563 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -50.96 155.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 111.011 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -138.39 51.35 0.77 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.575 1.172 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.788 HG23 HH21 ' A' ' 155' ' ' ARG . 97.1 m -157.68 130.29 7.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.95 -142.17 15.93 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.06 165.44 34.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 0.74 . . . . 0.0 109.249 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -61.33 148.82 40.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 110.281 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.777 ' O ' HD13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -154.92 -43.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -51.16 153.09 4.78 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -97.4 167.57 10.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -172.94 161.15 4.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -136.65 87.45 2.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 179.38 141.18 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -161.36 118.32 2.24 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.65 159.47 21.29 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.67 41.15 2.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.88 135.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 pp -92.05 130.55 41.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.86 73.65 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.961 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.2 mt -141.75 118.16 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.419 HD22 ' HD3' ' A' ' 112' ' ' ARG . 2.1 mt -73.9 131.27 41.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.62 -173.67 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.259 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -91.51 88.56 6.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 110.236 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.45 ' CB ' ' HG2' ' A' ' 111' ' ' GLN . 0.2 OUTLIER 179.82 153.55 0.49 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.745 HD11 ' HA ' ' A' ' 74' ' ' ASP . 3.2 mp -71.13 -31.62 45.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 m -77.34 2.32 16.19 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.464 1.103 . . . . 0.0 110.06 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.45 ' HG2' ' CB ' ' A' ' 108' ' ' LYS . 29.2 mm-40 -94.96 -63.16 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 1.165 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.528 ' O ' ' C ' ' A' ' 113' ' ' GLY . 6.2 mtm105 -114.26 4.57 15.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.539 ' CA ' ' O ' ' A' ' 109' ' ' ILE . . . -26.54 -50.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.418 ' HA3' ' CA ' ' A' ' 80' ' ' GLY . . . 132.84 -101.73 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.46 145.35 39.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 0.793 . . . . 0.0 109.241 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 2.0 t -143.76 136.53 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.624 HG11 ' CD1' ' A' ' 167' ' ' PHE . 1.5 m -115.92 128.44 73.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 119.61 61.36 0.26 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 120' ' ' TRP . 42.2 p90 -89.74 -47.83 7.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 110.955 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.608 ' N ' ' CD1' ' A' ' 119' ' ' TYR . 7.4 m0 -130.88 176.41 8.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 107.994 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.2 t -125.84 -51.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.959 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 24.3 p -136.47 104.56 5.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -103.99 148.66 25.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -121.85 -163.58 11.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -76.75 144.1 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.06 155.93 37.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -64.68 130.34 43.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.365 1.041 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -155.33 155.23 33.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.22 132.85 55.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.238 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -175.67 142.2 0.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 109.951 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -161.52 131.23 4.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.8 128.43 34.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 109.283 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -168.85 144.38 3.38 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.573 1.171 . . . . 0.0 109.305 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 27.7 mtt85 -76.73 -78.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.354 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -124.94 141.68 51.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.228 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 158.05 -149.76 20.29 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.475 1.109 . . . . 0.0 111.065 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.24 173.89 11.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.251 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -68.4 172.32 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 12.4 p -156.19 151.8 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -59.62 -157.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.583 1.177 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.61 179.15 6.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.229 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -126.77 159.26 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.239 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 3.6 mt -54.91 169.73 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.419 ' CG ' ' OD2' ' A' ' 146' ' ' ASP . 8.8 t0 -90.32 121.72 32.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 146' ' ' ASP . 0.0 OUTLIER -79.25 -42.05 26.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.261 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 145' ' ' GLU . 0.5 OUTLIER -38.32 134.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -112.82 166.39 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.405 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.15 176.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.34 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.9 -178.6 3.72 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -111.6 -178.34 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.34 175.37 5.54 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.429 1.081 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' THR . . . . . . . . . . . . . 4.7 m -146.71 147.68 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 110.464 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -67.6 -34.79 77.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.361 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -87.91 45.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.788 HH21 HG23 ' A' ' 88' ' ' THR . 0.0 OUTLIER -77.89 -48.83 15.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.354 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.893 ' O ' HG23 ' A' ' 160' ' ' VAL . 6.0 pt -51.45 -54.53 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' LYS . . . . . 0.47 ' HA ' ' OE2' ' A' ' 25' ' ' GLU . 3.0 pttt -54.52 -35.94 63.71 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.33 -64.75 0.79 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.087 . . . . 0.0 109.991 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.499 ' CZ2' HG21 ' A' ' 51' ' ' ILE . 23.0 t90 -47.18 -55.11 9.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.97 HG21 ' HB3' ' A' ' 25' ' ' GLU . 47.0 t -49.51 -57.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 165' ' ' SER . . . -50.5 -29.04 9.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 166' ' ' GLU . 1.7 tt0 -70.06 -56.48 6.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 110.244 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.518 ' O ' ' CD2' ' A' ' 167' ' ' PHE . 0.0 OUTLIER -61.35 -57.24 13.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.328 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.768 ' CE ' ' CE2' ' A' ' 26' ' ' PHE . 1.4 mmpt? -49.0 -56.38 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 168' ' ' GLY . 40.3 t -54.86 -76.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.034 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 165' ' ' SER . 0.5 OUTLIER -31.74 -59.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 179.849 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' PHE . . . . . 1.205 ' CE1' HD13 ' A' ' 82' ' ' LEU . 8.2 m-85 -49.2 -47.25 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 165' ' ' SER . . . 143.71 42.72 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.42 1.075 . . . . 0.0 111.056 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 164' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.599 0.823 . . . . 0.0 109.174 -179.977 . . . . . . . . 2 2 . 1 stop_ save_