data_1wgy_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 1wgy _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 ' 10' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 71' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 7.8 m-85 -134.98 150.94 50.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.3 t -111.35 124.4 52.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.08 . . . . 0.0 108.287 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -88.18 119.92 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.543 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.44 HG12 ' CG1' ' A' ' 22' ' ' VAL . 2.4 t -121.62 106.63 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.48 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 m-85 -81.65 122.36 27.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.0 mt -82.13 -57.16 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.6 p -113.81 -139.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -36.37 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -130.06 37.65 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.622 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -139.2 145.31 39.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.97 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.48 -178.51 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG1' HG12 ' A' ' 14' ' ' VAL . 2.8 p -143.38 123.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 p -78.11 119.61 21.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.0 t -118.99 130.11 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -97.35 99.59 11.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' HB1' ' CD1' ' A' ' 35' ' ' ILE . . . -123.17 179.08 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -73.57 176.04 6.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.236 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.19 -11.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t -134.8 32.87 3.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.4 138.84 33.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 pt -67.7 164.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . . . -60.64 -44.23 96.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -42.84 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 3.1 mm-40 -56.8 -20.68 23.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 6.1 mm -97.28 -47.05 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 15.0 tp -55.31 -42.73 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.464 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.14 -29.87 70.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 17.4 t -82.88 -56.97 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' ALA . 65.6 t -52.21 -53.04 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -37.65 -47.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -43.32 64.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.475 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.92 -17.95 41.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.506 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -111.79 -15.73 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' ALA . 40.2 mt-30 73.92 59.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.506 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -143.38 -161.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -116.11 108.46 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 10.3 pt-20 -46.37 -41.83 14.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -60.7 -28.9 68.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -91.78 -4.53 54.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 43' ' ' ILE . 89.6 mt -108.35 176.76 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -162.92 147.77 11.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 1.1 mm? -83.79 116.27 22.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.528 ' CG2' ' CD1' ' A' ' 84' ' ' TYR . 54.6 t -102.09 112.2 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.35 119.27 32.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 56' ' ' THR . 2.4 mt -115.28 154.89 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 55' ' ' ILE . 7.3 t -107.5 177.13 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.84 -56.95 15.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.75 -44.64 3.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.05 77.85 0.83 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -143.42 122.92 13.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.555 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 0.9 OUTLIER -71.6 142.77 49.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.75 142.12 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.33 147.6 44.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.36 -157.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -105.9 163.11 17.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.03 16.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.94 -4.53 17.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -73.98 138.69 44.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.3 156.12 13.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.68 -41.65 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.468 ' CD1' HG12 ' A' ' 10' ' ' ILE . 4.2 tt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 52.1 mt -86.79 158.64 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 77.6 m-85 -138.18 177.53 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.1 p -136.63 127.7 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.555 ' CE2' ' HD3' ' A' ' 61' ' ' LYS . 5.8 m-85 -118.31 160.44 21.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -93.3 124.63 37.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -166.23 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 20.9 m-85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -130.97 143.37 50.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -107.71 102.91 12.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -73.7 118.83 17.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.563 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.464 HG11 ' CG1' ' A' ' 22' ' ' VAL . 2.3 t -119.21 102.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.517 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 m-85 -77.64 127.64 32.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.8 mt -87.67 -54.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.9 p -117.02 -139.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.517 ' HG3' ' CG ' ' A' ' 19' ' ' HIS . 10.5 pt-20 -85.54 -42.94 13.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.243 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.517 ' CG ' ' HG3' ' A' ' 18' ' ' GLU . 8.2 m170 -125.77 35.38 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -134.26 143.64 47.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -159.38 -178.34 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.464 ' CG1' HG11 ' A' ' 14' ' ' VAL . 2.7 p -144.06 122.19 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -74.87 128.14 34.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 96.6 t -130.02 122.92 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -92.16 98.8 11.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.472 ' CB ' HD12 ' A' ' 35' ' ' ILE . . . -112.39 -179.83 3.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -82.41 176.44 9.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.2 m -74.04 -19.22 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.3 t -121.39 16.04 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.09 144.14 55.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.3 pt -88.62 164.23 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.421 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -57.73 -40.2 79.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.6 OUTLIER -53.93 -41.06 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.468 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 36.6 mt-10 -59.2 -15.07 12.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.472 HD12 ' CB ' ' A' ' 26' ' ' ALA . 6.6 mm -103.44 -48.03 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 13.2 tp -57.6 -39.24 76.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' HE2' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.32 -30.28 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.473 HG11 ' CE ' ' A' ' 42' ' ' LYS . 12.2 t -84.79 -52.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 42' ' ' LYS . 62.9 t -54.94 -52.64 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -38.24 -46.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -42.46 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.473 ' CE ' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.99 -18.25 56.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.51 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -111.57 -13.74 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' ALA . 25.5 mt-30 71.89 60.39 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.51 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -144.0 -163.33 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -115.0 106.7 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.8 pt-20 -44.95 -41.15 7.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 4.2 pt-20 -60.77 -33.47 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 46' ' ' ALA . 67.4 m-20 -87.25 -4.83 59.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 43' ' ' ILE . 89.4 mt -107.56 -179.78 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -165.98 148.25 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -83.56 114.51 21.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.495 HG11 ' CE1' ' A' ' 84' ' ' TYR . 8.8 t -100.56 116.18 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.34 107.25 18.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 2.8 mt -86.23 158.14 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.405 ' N ' HG21 ' A' ' 55' ' ' ILE . 7.3 t -106.99 167.79 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.85 -60.88 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.8 m -39.65 -67.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.04 72.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -151.18 129.44 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -72.11 150.95 43.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.97 118.84 6.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.13 149.67 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.15 -159.58 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.08 164.31 16.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -2.4 12.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.31 44.88 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 69' ' ' LEU . 26.8 t70 -96.04 -12.82 24.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER 84.7 128.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.403 ' N ' HD11 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -106.93 45.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.467 ' O ' ' CG1' ' A' ' 71' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 15' ' ' TYR . 5.7 mtm180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.0 mm -78.11 155.59 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 73.3 m-85 -138.83 177.18 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.76 134.13 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.495 ' CE1' HG11 ' A' ' 53' ' ' VAL . 11.0 m-85 -127.65 169.79 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 95' ' ' PHE . 50.3 mtm180 -96.77 137.31 36.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' ASP . 13.5 mtpt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.55 41.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.442 1.759 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.541 ' CZ ' ' HG3' ' A' ' 85' ' ' ARG . 14.8 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.422 ' CD1' ' CD1' ' A' ' 71' ' ' ILE . 1.3 tt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -123.27 156.18 35.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.4 t -123.18 112.86 18.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 108.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -86.44 120.75 28.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.583 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.468 ' CG1' HG11 ' A' ' 39' ' ' VAL . 53.0 t -114.15 98.78 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -73.48 105.12 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.494 HD13 ' CG2' ' A' ' 22' ' ' VAL . 9.0 mt -63.09 -59.16 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.7 p -115.48 -139.24 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -94.53 -34.1 12.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -123.03 31.6 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 m -139.68 144.85 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -159.62 178.17 10.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.494 ' CG2' HD13 ' A' ' 16' ' ' ILE . 2.9 t -141.18 139.61 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p -96.02 95.65 8.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 96.5 t -97.23 148.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -98.92 98.84 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.46 ' CB ' HD12 ' A' ' 35' ' ' ILE . . . -100.02 179.81 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -116.51 177.41 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 p -73.34 -11.09 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -147.33 46.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.8 t -102.59 138.95 38.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 33' ' ' GLN . 11.4 pt -74.97 162.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.477 ' CB ' HD13 ' A' ' 52' ' ' LEU . . . -60.82 -41.52 95.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -49.11 -43.73 41.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.473 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 64.1 mm-40 -56.02 -19.6 13.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.46 HD12 ' CB ' ' A' ' 26' ' ' ALA . 10.7 mm -100.67 -47.7 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 HD13 ' CA ' ' A' ' 51' ' ' ALA . 13.2 tp -56.41 -39.34 72.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.02 -31.2 72.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.477 HG12 ' CE ' ' A' ' 42' ' ' LYS . 12.4 t -82.75 -52.88 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.468 HG11 ' CG1' ' A' ' 14' ' ' VAL . 45.1 t -54.99 -52.43 43.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -38.51 -45.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.58 -43.24 63.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.477 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.6 -18.49 41.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.505 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -111.51 -16.89 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.0 mt-30 73.91 60.67 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.505 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -142.44 -162.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -114.52 104.6 12.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.466 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 10.6 pt-20 -44.52 -40.3 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.58 -35.86 77.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' ALA . 80.4 m-20 -87.33 -4.89 59.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 43' ' ' ILE . 92.0 mt -107.94 -179.42 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.467 ' CA ' HD13 ' A' ' 36' ' ' LEU . . . -168.8 146.15 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 32' ' ' ALA . 44.4 mt -83.34 112.68 20.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.406 ' CG1' ' HB2' ' A' ' 61' ' ' LYS . 74.6 t -101.94 127.81 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -106.26 147.61 28.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.672 ' CD1' ' CB ' ' A' ' 61' ' ' LYS . 16.2 mm -112.24 149.67 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -120.94 -178.42 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.62 162.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.93 -65.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.42 72.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -136.93 111.95 8.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.743 . . . . 0.0 110.271 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.672 ' CB ' ' CD1' ' A' ' 55' ' ' ILE . 1.4 ptpt -79.95 153.17 29.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -138.34 156.34 47.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.56 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -118.04 115.04 24.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -95.32 -159.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -110.74 163.68 16.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.43 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.3 Cg_endo -74.94 -1.22 10.92 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.57 -8.72 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.02 128.74 37.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 mt -56.93 146.17 27.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.71 34.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.44 ' O ' ' CG1' ' A' ' 71' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 mm -124.22 150.99 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.616 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 78.3 m-85 -123.47 177.2 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.588 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -140.21 131.4 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -125.73 151.36 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.434 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -92.81 134.41 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.7 mttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 120.0 5.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 83' ' ' VAL . 18.3 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.496 ' CZ ' ' HD2' ' A' ' 25' ' ' LYS . 2.1 m-85 -134.29 138.15 44.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.48 128.39 50.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.266 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -91.33 109.18 20.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.502 HG11 ' CG1' ' A' ' 22' ' ' VAL . 1.8 t -111.96 103.98 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.556 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 3.3 m-85 -78.15 144.51 36.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.4 mt -106.82 -56.7 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.2 p -111.35 -137.88 0.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' N ' ' OG1' ' A' ' 17' ' ' THR . 2.8 tt0 -91.84 -30.45 16.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -136.65 41.07 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.628 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.407 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 1.3 m -139.16 141.67 38.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -159.2 -178.19 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.502 ' CG1' HG11 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -142.51 133.52 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 p -90.02 101.33 14.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -99.35 122.98 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 11' ' ' PHE . 3.3 tttt -92.33 98.78 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -117.73 -179.78 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -75.15 176.51 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.7 p -80.7 -3.55 6.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -138.03 26.83 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.44 147.96 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 pt -87.17 164.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' CB ' HD13 ' A' ' 52' ' ' LEU . . . -55.69 -41.9 74.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 1.9 tp60 -54.03 -39.35 66.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.08 -11.88 22.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.468 HD11 ' CB ' ' A' ' 26' ' ' ALA . 7.4 mm -107.65 -44.24 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 13.4 tp -58.79 -39.76 82.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.455 ' CE ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.48 -30.82 70.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.468 HG12 ' CE ' ' A' ' 42' ' ' LYS . 16.4 t -82.25 -57.61 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.465 HG22 ' CG1' ' A' ' 22' ' ' VAL . 93.5 t -47.71 -55.15 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.39 -42.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -43.3 62.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HG2' ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -56.64 -25.16 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.512 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.4 pt -107.2 -17.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 40' ' ' ALA . 20.3 mt-30 74.95 59.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.512 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -137.49 -162.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -111.45 103.8 12.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 10.6 pt-20 -43.7 -40.91 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -60.18 -37.56 80.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' ALA . 75.8 m-20 -80.23 -7.9 59.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -107.83 176.01 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.56 141.44 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.483 HD13 ' CB ' ' A' ' 32' ' ' ALA . 43.2 mt -84.04 113.75 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 84' ' ' TYR . 1.7 m -115.99 133.04 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' HIS . . . -108.77 139.09 44.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.7 mt -104.79 153.81 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 57' ' ' PHE . 7.8 t -116.08 -175.46 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.367 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' N ' ' OG1' ' A' ' 56' ' ' THR . 2.3 t80 -51.46 164.6 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m 69.14 -65.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' PHE . . . 145.34 86.52 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -145.98 118.56 8.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -70.66 152.46 43.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -149.99 110.28 4.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.559 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.36 131.64 34.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -108.05 -158.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.2 163.51 16.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.4 Cg_endo -74.98 -4.01 14.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -112.67 0.04 15.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.15 141.72 52.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.43 134.89 48.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.42 HG23 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -106.88 30.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.47 ' CD1' HG12 ' A' ' 10' ' ' ILE . 1.1 tt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.556 ' HG2' ' CE1' ' A' ' 15' ' ' TYR . 3.9 mpt_? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 82' ' ' TYR . 25.0 mm -79.23 141.65 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.559 ' CD1' HG13 ' A' ' 55' ' ' ILE . 92.4 m-85 -122.98 177.27 5.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.58 127.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.573 ' CE1' HG21 ' A' ' 53' ' ' VAL . 5.7 m-85 -119.1 155.77 30.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.495 ' HD2' ' CZ ' ' A' ' 95' ' ' PHE . 28.3 mtp180 -88.42 132.01 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 131.28 14.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.495 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 25' ' ' LYS . 2.7 m-85 -132.32 149.31 52.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' SG ' ' CG2' ' A' ' 35' ' ' ILE . 11.0 t -108.86 100.25 9.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.83 112.82 15.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.604 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -109.87 98.63 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.618 ' CE2' ' NE ' ' A' ' 80' ' ' ARG . 3.3 m-85 -72.09 104.99 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.477 HD11 ' CG2' ' A' ' 22' ' ' VAL . 10.5 mt -63.41 -58.09 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 p -115.21 -138.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -33.87 13.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -124.76 32.56 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.622 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -139.61 143.44 37.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -159.72 178.68 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.55 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 2.3 t -145.36 127.31 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.436 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -90.96 97.64 11.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.9 t -97.09 122.11 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 11' ' ' PHE . 3.1 tppt? -85.65 98.96 10.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -116.05 179.83 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -76.25 176.37 8.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.25 -10.92 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.8 t -133.16 30.52 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.16 147.18 30.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.8 pt -82.04 164.89 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.466 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . . . -62.05 -42.32 99.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.77 -43.27 37.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 23.5 mt-10 -57.34 -24.22 53.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.475 HD11 ' CB ' ' A' ' 26' ' ' ALA . 6.5 mm -93.66 -50.73 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 18.3 tp -50.85 -44.04 59.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.44 -31.09 68.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.494 HG11 ' CE ' ' A' ' 42' ' ' LYS . 20.8 t -79.63 -64.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 42' ' ' LYS . 96.3 t -44.77 -53.64 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.08 -43.1 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 1.1 mm-40 -72.73 -44.61 61.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.55 ' HG2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -54.23 -25.42 23.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.517 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.6 pt -107.7 -18.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 40' ' ' ALA . 37.3 mt-30 75.06 57.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.517 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -133.87 -161.53 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -112.81 102.24 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.6 pt-20 -41.2 -42.7 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -58.19 -41.32 83.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 46' ' ' ALA . 35.0 m-20 -76.41 -6.95 53.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.0 mt -107.53 176.42 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -163.87 147.57 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -83.16 114.5 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' TYR . 4.1 t -101.23 119.16 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.72 108.48 20.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mt -91.11 157.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.8 t -118.7 174.71 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.426 ' N ' ' OG1' ' A' ' 56' ' ' THR . 7.8 t80 -68.42 59.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' THR . 44.3 t -175.0 34.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' SER . . . 37.51 51.55 1.83 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -124.18 112.31 16.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.474 ' HD3' ' CZ ' ' A' ' 84' ' ' TYR . 2.5 mtmp? -70.58 139.41 51.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.95 117.01 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.29 153.23 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.63 -159.6 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -106.5 163.07 17.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.29 1.08 15.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.3 128.08 32.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -52.5 149.81 5.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.426 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -111.7 4.03 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.618 ' NE ' ' CE2' ' A' ' 15' ' ' TYR . 5.0 mtp180 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 82' ' ' TYR . 2.9 mp -94.63 148.27 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' VAL . 48.8 m-85 -135.33 177.07 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 3.5 p -137.28 126.93 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.474 ' CZ ' ' HD3' ' A' ' 61' ' ' LYS . 6.6 m-85 -121.75 156.22 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -85.21 115.84 23.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -164.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.534 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 5.9 m-85 -121.39 137.73 54.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.0 t -111.2 121.89 46.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -90.66 113.84 25.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.623 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG12 ' CG1' ' A' ' 22' ' ' VAL . 2.0 t -117.32 99.62 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.516 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.3 m-85 -74.68 125.91 29.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.1 mt -86.49 -56.06 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 6.1 p -116.74 -137.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.513 ' HG3' ' CG ' ' A' ' 19' ' ' HIS . 10.1 pt-20 -85.72 -43.17 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.513 ' CG ' ' HG3' ' A' ' 18' ' ' GLU . 6.5 m170 -127.19 42.8 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.574 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.407 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 1.0 OUTLIER -139.51 139.84 37.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -159.37 -178.48 7.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.48 ' CG1' HG12 ' A' ' 14' ' ' VAL . 1.4 p -142.73 129.41 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 p -87.77 103.5 15.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.965 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -105.47 124.28 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HE2' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -80.6 99.21 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -107.03 171.98 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -88.14 175.83 7.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.0 p -72.76 -12.34 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 t -141.47 42.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -91.19 154.5 19.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 33' ' ' GLN . 10.9 pt -88.6 165.16 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -63.04 -42.25 99.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.463 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -48.22 -42.55 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 39.4 mt-10 -57.28 -16.7 9.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 7.9 mm -102.69 -50.03 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . 13.6 tp -55.44 -39.26 70.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -63.41 -31.66 72.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.48 ' CG1' ' CE ' ' A' ' 42' ' ' LYS . 12.1 t -83.65 -53.81 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.411 HG21 ' CG1' ' A' ' 22' ' ' VAL . 74.2 t -50.17 -55.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.76 -48.4 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -44.13 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.48 ' CE ' ' CG1' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.43 -23.61 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.4 pt -110.32 -18.58 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ALA . 17.6 mt-30 78.91 55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.5 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -133.8 -161.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.52 103.67 11.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.454 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 8.7 pt-20 -45.39 -38.98 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 9.0 pt-20 -61.66 -34.46 75.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.4 m-20 -84.43 -4.48 58.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -108.18 -179.75 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.01 149.78 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 1.4 mm? -83.7 117.32 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 61' ' ' LYS . 96.8 t -106.33 126.69 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.32 140.08 40.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.585 ' CG1' ' CE1' ' A' ' 82' ' ' TYR . 10.2 mm -111.34 125.79 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.415 ' CG2' ' HG2' ' A' ' 60' ' ' GLU . 10.2 t -89.3 178.73 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 58' ' ' SER . 6.9 p90 -61.29 -40.88 95.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.577 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -55.99 -22.08 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.21 -22.42 33.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' HG2' ' CG2' ' A' ' 56' ' ' THR . 1.3 pt-20 -61.9 153.57 28.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.775 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.559 ' CB ' ' CD1' ' A' ' 55' ' ' ILE . 3.8 ptmt -108.3 160.36 15.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -143.71 140.4 29.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -103.98 102.43 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -162.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -109.8 163.62 16.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.4 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.67 -6.77 15.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' ALA . 11.6 t70 -68.28 138.57 55.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.71 143.9 54.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.448 HG23 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.29 36.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.477 ' O ' ' CG1' ' A' ' 71' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.587 ' O ' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.0 mm -85.09 157.83 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 80' ' ' ARG . 75.4 m-85 -140.24 177.27 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.51 129.06 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.461 ' CD1' HG23 ' A' ' 53' ' ' VAL . 6.3 m-85 -119.16 159.57 23.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.17 149.23 21.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.5 mttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.422 ' ND2' ' N ' ' A' ' 93' ' ' ASN . 1.1 m120 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.439 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.02 55.15 3.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CD1' HD12 ' A' ' 71' ' ' ILE . 1.3 tt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 17.3 m-85 -134.75 148.31 50.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 t -110.31 117.13 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -97.11 113.2 24.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.593 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 5.4 t -115.26 111.76 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.424 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 5.1 m-85 -86.7 132.81 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.585 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.1 mm -93.46 -44.08 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.5 p -134.0 -139.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -89.78 -31.76 17.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.26 34.75 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -135.81 132.8 37.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.8 p90 -161.13 177.64 10.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.577 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 2.1 t -146.38 134.41 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.33 93.81 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.425 HG13 ' CD1' ' A' ' 35' ' ' ILE . 49.8 t -95.37 119.05 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 24.2 tttm -84.27 99.05 10.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -120.44 -179.46 3.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' N ' ' HG ' ' A' ' 30' ' ' SER . 0.3 OUTLIER -77.95 176.82 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 p -83.52 -7.53 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.19 29.44 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.43 ' HG ' ' N ' ' A' ' 27' ' ' LYS . 1.9 p -82.99 157.75 22.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.024 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.418 HG21 ' ND2' ' A' ' 67' ' ' ASN . 12.1 pt -90.18 165.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . . . -61.34 -43.9 98.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -47.34 -45.18 24.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.465 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 41.6 mt-10 -56.0 -21.64 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.477 HD11 ' CB ' ' A' ' 26' ' ' ALA . 5.3 mm -99.74 -49.71 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 15.0 tp -55.31 -40.88 71.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -61.67 -31.98 72.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.501 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.7 t -81.93 -58.84 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' LYS . 94.5 t -47.15 -54.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.68 -45.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.35 -44.94 70.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.577 ' HG2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -52.53 -29.6 26.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.1 pt -103.19 -18.6 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.4 mt-30 77.28 55.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.504 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -133.57 -164.76 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -111.49 103.59 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 8.0 pt-20 -39.24 -35.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.58 -48.48 81.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 46' ' ' ALA . 4.2 m-20 -72.7 -5.71 39.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 43' ' ' ILE . 49.3 mt -107.51 175.4 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -168.83 148.69 4.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.468 ' CD2' ' HB1' ' A' ' 32' ' ' ALA . 1.3 mm? -83.38 114.88 21.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.495 ' CG2' ' CD1' ' A' ' 84' ' ' TYR . 22.4 t -104.14 110.0 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.83 112.18 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 56' ' ' THR . 1.9 mt -97.44 152.95 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.416 ' N ' HG21 ' A' ' 55' ' ' ILE . 7.1 t -114.39 178.85 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.369 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -43.68 166.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.93 -70.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 57' ' ' PHE . . . 149.04 87.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -141.77 117.46 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 84' ' ' TYR . 10.6 mttp -70.17 147.74 49.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.03 110.63 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.43 147.38 23.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.53 -160.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -104.04 163.49 17.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.2 Cg_endo -75.05 -4.69 15.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.418 ' ND2' HG21 ' A' ' 31' ' ' ILE . 13.9 t-20 -111.0 -3.68 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -76.75 123.47 26.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ASP . 23.0 mt -40.41 152.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -100.79 -85.23 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.435 HD12 ' CD1' ' A' ' 10' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' O ' ' CE1' ' A' ' 82' ' ' TYR . 1.1 mpt_? . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 82' ' ' TYR . 25.8 mt -91.29 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' VAL . 76.8 m-85 -142.85 177.71 8.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.481 HG13 ' CD1' ' A' ' 16' ' ' ILE . 8.5 p -130.41 135.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.495 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 8.4 m-85 -124.45 152.73 42.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.53 148.99 24.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 132.3 15.23 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.027 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -131.65 162.87 29.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -124.69 103.02 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.541 ' CD2' ' HB3' ' A' ' 23' ' ' SER . 6.4 m80 -88.96 107.77 19.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.479 HG22 ' CG1' ' A' ' 22' ' ' VAL . 1.9 m -102.75 126.39 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.597 ' O ' ' CD2' ' A' ' 82' ' ' TYR . 3.4 m-30 -97.2 118.31 33.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 20' ' ' SER . 2.1 mt -71.29 -61.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.0 p -111.32 -136.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -90.66 -36.73 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -126.04 34.68 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -139.13 132.87 30.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 15' ' ' TYR . 22.8 p90 -160.88 171.79 18.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.479 ' CG1' HG22 ' A' ' 14' ' ' VAL . 1.8 p -149.38 126.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.541 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 1.5 p -84.43 155.42 22.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 35' ' ' ILE . 94.8 t -147.67 130.83 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -69.44 98.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -100.8 -179.63 4.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -112.21 176.59 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.14 -6.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -148.99 41.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.457 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 35.4 t -97.22 153.93 17.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt -90.38 166.89 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.477 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . . . -66.79 -40.18 88.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -49.9 -40.41 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.461 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 59.1 mt-10 -62.0 -12.56 19.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.456 ' CD1' HG12 ' A' ' 24' ' ' VAL . 32.1 mm -102.29 -47.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . 15.2 tp -56.69 -42.74 79.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HG3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.35 -30.24 70.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG12 ' CE ' ' A' ' 42' ' ' LYS . 19.3 t -83.25 -50.54 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 42' ' ' LYS . 96.2 t -55.93 -52.84 44.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.31 -41.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -41.66 61.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.493 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.57 -31.55 69.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -102.04 -11.88 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ALA . 20.3 mt-30 66.36 62.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.528 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -138.66 -159.77 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.53 103.1 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.478 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 11.1 pt-20 -44.14 -43.25 6.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -60.16 -31.82 70.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' ALA . 82.8 m-20 -86.5 -6.35 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 43' ' ' ILE . 71.7 mt -106.99 -179.72 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -166.46 147.06 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -83.43 119.18 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.668 ' CG2' ' CD1' ' A' ' 84' ' ' TYR . 4.2 t -102.73 154.15 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -130.33 125.34 34.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.573 HG13 ' CE1' ' A' ' 82' ' ' TYR . 3.3 mm -97.11 138.53 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' SER . 8.1 t -93.83 166.79 12.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -66.31 69.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' THR . 8.4 m -177.84 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.77 -37.14 1.82 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -47.72 137.37 9.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.518 ' CB ' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -107.38 156.27 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 11.3 t60 -140.27 153.68 46.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.585 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -108.42 115.7 30.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -89.2 -160.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -109.81 163.51 16.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -1.86 11.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.41 -6.01 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.99 124.05 19.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 30' ' ' SER . 12.6 mt -60.94 131.15 49.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.1 m -104.41 73.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 82' ' ' TYR . 18.5 mm -99.16 150.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 8.9 m-85 -135.12 175.87 9.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 p -140.94 123.23 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.668 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 22.0 m-85 -118.21 166.2 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.4 OUTLIER -97.97 148.49 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.09 30.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 21.5 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' A' ' 26' ' ' ALA . 7.0 tt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -128.58 163.28 25.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 t -126.18 106.12 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 108.31 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -84.21 117.84 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.7 t -116.7 99.65 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.449 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.5 m-85 -76.34 133.07 40.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.686 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -93.2 -62.66 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.5 p -104.77 -134.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -98.53 -24.39 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -136.4 39.31 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.405 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 0.7 OUTLIER -139.86 136.56 34.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -160.24 173.51 15.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.535 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 4.9 t -133.54 139.17 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.4 p -101.21 87.29 3.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.45 ' CG1' HD12 ' A' ' 35' ' ' ILE . 71.8 t -92.97 141.13 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -95.2 98.7 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -102.98 162.02 13.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -77.23 176.34 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.87 -10.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m -144.58 41.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.89 149.94 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 pt -88.88 163.9 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . . . -64.73 -40.21 94.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.56 -43.86 36.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 38' ' ' VAL . 39.0 mt-10 -56.66 -35.4 68.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.459 HD11 ' CB ' ' A' ' 26' ' ' ALA . 8.9 mm -85.46 -39.08 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 17.3 tp -56.83 -46.91 81.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' CB ' ' OE2' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -57.91 -31.48 66.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.9 t -80.21 -65.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' ALA . 83.7 t -44.19 -52.86 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.24 -44.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -71.94 -45.19 62.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.535 ' HG2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -53.41 -28.16 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.516 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.4 pt -104.52 -18.98 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' ALA . 26.6 mt-30 75.94 58.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.516 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -136.23 -160.72 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.83 104.07 11.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.2 pt-20 -44.93 -41.9 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -59.34 -33.56 71.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' ALA . 1.3 m-20 -87.71 -3.66 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 85' ' ' ARG . 77.6 mt -107.34 -179.8 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.83 141.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 32' ' ' ALA . 1.6 mm? -83.59 117.1 22.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.552 HG22 ' CE1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -114.36 127.73 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' HIS . . . -97.49 154.55 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 56' ' ' THR . 2.4 mt -133.1 154.39 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.41 ' N ' HG21 ' A' ' 55' ' ' ILE . 5.9 t -100.51 171.86 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' SER . 17.0 t80 -54.01 -60.16 3.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -39.21 -62.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.31 72.25 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -141.06 125.36 17.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -71.88 148.69 45.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -151.03 115.52 5.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.571 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.418 ' HG3' ' CG1' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -91.23 154.62 19.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -130.83 -156.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -112.43 163.15 18.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.49 14.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.89 -2.22 17.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -70.45 154.71 41.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.77 141.23 37.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.01 36.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.45 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.2 mp -107.43 157.95 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 41.0 m-85 -148.42 176.19 10.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.9 p -131.84 130.57 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.552 ' CE1' HG22 ' A' ' 53' ' ' VAL . 5.6 m-85 -118.45 154.44 32.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -94.88 133.53 38.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 111.85 3.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -126.73 142.35 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.5 t -112.02 86.65 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.431 ' HD2' ' CE1' ' A' ' 21' ' ' TYR . 73.8 m80 -72.27 124.42 25.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -115.84 111.86 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.418 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 3.3 m-85 -82.35 112.63 19.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.158 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.491 HD13 ' CG2' ' A' ' 22' ' ' VAL . 9.5 mt -71.72 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.2 p -108.93 -137.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.25 -37.1 12.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -124.06 32.66 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.549 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -139.4 137.89 36.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 15.4 p90 -160.43 175.63 12.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.582 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 2.7 t -138.26 128.42 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -92.3 109.01 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.7 t -106.32 108.92 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.59 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -77.41 98.2 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.487 ' CB ' HD12 ' A' ' 35' ' ' ILE . . . -115.47 -179.87 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -75.96 176.38 7.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.41 ' CG2' ' CD1' ' A' ' 71' ' ' ILE . 9.9 p -82.97 -3.51 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -132.64 24.05 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.055 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.8 141.76 32.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 pt -82.69 163.9 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.48 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . . . -58.41 -42.75 87.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -50.09 -42.15 49.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' HG21 ' A' ' 38' ' ' VAL . 3.6 mm-40 -62.36 -12.72 22.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.487 HD12 ' CB ' ' A' ' 26' ' ' ALA . 11.0 mm -102.46 -53.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . 15.1 tp -49.12 -40.48 32.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -30.74 70.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.482 HG13 ' CE ' ' A' ' 42' ' ' LYS . 13.2 t -80.51 -62.04 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.49 ' CG2' HG22 ' A' ' 14' ' ' VAL . 88.1 t -45.48 -55.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -38.84 -43.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.25 -44.85 62.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.582 ' HG2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -53.28 -29.58 33.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.519 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.7 pt -103.92 -18.63 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 40' ' ' ALA . 39.5 mt-30 75.13 57.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.519 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -131.38 -160.52 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -112.96 99.16 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.48 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.5 pt-20 -41.42 -42.66 2.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.38 -40.02 81.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' ALA . 78.5 m-20 -79.43 -5.2 54.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.445 ' CD2' ' HA ' ' A' ' 85' ' ' ARG . 44.0 mt -106.49 -179.16 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.04 148.43 4.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -83.42 120.94 26.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.59 ' CG2' ' CD1' ' A' ' 84' ' ' TYR . 22.1 t -107.57 146.65 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.89 132.25 56.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.541 HG13 ' CE1' ' A' ' 82' ' ' TYR . 1.2 mm -120.16 102.19 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -62.61 155.95 24.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.676 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 42.8 p90 -57.19 98.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 57' ' ' PHE . 0.9 OUTLIER 154.86 -68.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 154.05 66.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -145.15 103.88 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.526 ' CB ' ' CD1' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -81.1 146.54 30.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -144.42 158.32 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.05 130.69 55.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -109.09 -157.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -110.22 162.77 19.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -4.87 16.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -113.59 21.95 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.99 126.5 35.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' VAL . 4.2 mm? -63.95 91.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -38.24 -44.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.41 ' CD1' ' CG2' ' A' ' 28' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.4 mm -80.72 147.0 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.541 ' CE1' HG13 ' A' ' 55' ' ' ILE . 8.1 m-85 -123.81 174.93 7.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 p -141.47 120.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 5.7 m-85 -111.86 162.59 15.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.445 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -109.06 124.42 50.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.61 41.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 8.3 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -124.61 157.78 34.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.3 t -120.15 104.03 9.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 108.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -77.7 107.48 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.581 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.479 ' CG1' HG22 ' A' ' 39' ' ' VAL . 2.2 t -113.64 108.22 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 3.6 m-85 -83.28 129.21 34.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.6 mt -87.92 -56.42 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.0 p -114.27 -138.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 17' ' ' THR . 3.1 tp10 -90.86 -32.03 16.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -132.54 38.64 3.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 0.9 OUTLIER -139.53 140.36 37.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.04 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -158.61 -178.79 7.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 42' ' ' LYS . 2.4 p -142.18 130.76 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.9 p -91.87 92.63 8.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 35' ' ' ILE . 57.9 t -97.7 135.33 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -79.0 98.84 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.22 179.46 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.66 176.54 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -73.68 -11.72 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.404 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 26.8 t -145.36 44.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.5 t -97.8 147.88 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.524 ' CG2' ' O ' ' A' ' 67' ' ' ASN . 17.3 pt -85.31 166.52 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 35' ' ' ILE . . . -65.0 -43.27 93.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -46.78 -43.66 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.442 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 1.7 mm-40 -56.83 -25.24 55.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.459 ' CD1' HG13 ' A' ' 24' ' ' VAL . 13.9 mm -97.61 -48.87 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 16.2 tp -54.76 -41.43 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -60.91 -32.95 72.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.47 HG11 ' CE ' ' A' ' 42' ' ' LYS . 15.1 t -80.38 -61.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.479 HG22 ' CG1' ' A' ' 14' ' ' VAL . 69.9 t -43.42 -54.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.37 -43.99 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.92 -43.23 62.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' CE ' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -55.9 -23.02 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.515 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.6 pt -110.89 -17.6 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.1 mt-30 74.74 58.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.515 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -134.2 -160.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.17 101.3 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 10.3 pt-20 -43.03 -41.19 3.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.95 -39.18 84.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -80.25 -3.93 51.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 85' ' ' ARG . 75.7 mt -107.2 -179.83 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -174.64 139.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.461 ' CD1' HG12 ' A' ' 70' ' ' VAL . 96.4 mt -82.66 113.89 20.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 1.1 m -113.24 114.68 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HB1' ' CD1' ' A' ' 81' ' ' ILE . . . -89.73 148.16 23.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 56' ' ' THR . 2.2 mt -127.79 155.41 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 57' ' ' PHE . 7.0 t -109.49 -173.95 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' A' ' 58' ' ' SER . 13.7 p90 -70.06 -45.42 67.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.587 ' N ' ' CG ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -49.69 -32.32 13.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.985 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.8 66.51 0.9 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.057 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -138.4 132.12 30.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -78.56 147.51 33.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.83 111.01 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.61 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.472 ' HG3' ' CG1' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -90.35 124.72 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.0 mm? -85.84 -125.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.742 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 11.9 mt-30 -156.76 171.44 7.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.742 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.96 11.39 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.524 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -127.6 -37.78 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -44.29 123.6 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 29' ' ' SER . 1.5 tp -53.36 146.98 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -109.13 40.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.4 tt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.572 ' HG2' ' CE1' ' A' ' 15' ' ' TYR . 2.9 mpt_? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.457 ' CD1' ' HB1' ' A' ' 54' ' ' ALA . 32.3 mm -76.05 138.86 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 15' ' ' TYR . 68.1 m-85 -121.83 161.81 22.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.442 HG11 ' CG1' ' A' ' 14' ' ' VAL . 2.0 p -128.31 132.81 67.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -120.01 152.99 36.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.422 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -96.28 122.69 39.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 131.42 14.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 6.8 m-85 -125.86 137.35 53.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -98.53 111.99 24.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 108.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -78.75 111.51 14.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.592 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.474 HG12 ' CG1' ' A' ' 22' ' ' VAL . 2.3 t -108.52 99.12 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -79.77 113.12 17.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.4 mt -66.77 -59.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.524 ' CG2' ' OG ' ' A' ' 20' ' ' SER . 7.0 t -127.17 -132.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 2.4 tp10 -73.3 -77.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 4.2 m170 -101.84 47.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.524 ' OG ' ' CG2' ' A' ' 17' ' ' THR . 2.1 m -140.07 136.71 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.83 -177.67 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 14' ' ' VAL . 2.7 p -150.17 123.56 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -75.78 124.39 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 35' ' ' ILE . 69.5 t -124.56 121.74 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 17.1 tttt -91.3 98.73 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.478 ' CB ' HD12 ' A' ' 35' ' ' ILE . . . -118.42 -179.81 3.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -79.39 160.42 26.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.4 m -66.74 -12.5 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -130.07 32.62 4.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.467 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -84.14 154.47 23.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 pt -89.24 163.2 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.435 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . . . -56.93 -42.66 80.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.401 ' OE1' ' OE1' ' A' ' 47' ' ' GLU . 2.6 tp-100 -50.66 -43.42 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.461 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 2.0 mm-40 -56.47 -17.65 8.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.478 HD12 ' CB ' ' A' ' 26' ' ' ALA . 7.2 mm -100.16 -48.02 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 14.4 tp -56.05 -40.84 74.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.477 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -62.66 -28.87 70.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.477 ' CG2' ' HE3' ' A' ' 37' ' ' LYS . 12.9 t -85.62 -55.37 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 42' ' ' LYS . 48.5 t -51.83 -53.42 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' TYR . . . -38.91 -46.34 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.29 -40.48 70.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -64.49 -17.31 63.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CD1' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -114.87 -4.66 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' ALA . 18.7 mt-30 62.36 64.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.487 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -146.61 -166.98 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -112.52 104.85 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 8.5 pt-20 -36.79 -46.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.97 -47.21 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 46' ' ' ALA . 58.4 m-20 -69.41 -9.78 55.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 43' ' ' ILE . 0.6 OUTLIER -103.53 179.57 4.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.68 143.47 3.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.454 ' CD1' HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -81.97 114.22 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 61' ' ' LYS . 18.9 t -99.71 129.62 50.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.67 131.46 54.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.667 ' CG1' ' CE1' ' A' ' 82' ' ' TYR . 6.2 mm -110.92 112.86 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -63.3 163.47 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' SER . 4.6 t80 -48.16 -63.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PHE . 66.7 m -39.36 -71.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.59 71.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -149.91 118.0 6.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.658 ' CB ' ' CD1' ' A' ' 55' ' ' ILE . 2.5 ptpp? -76.06 155.55 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -151.27 148.04 27.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.38 112.87 25.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -160.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -107.29 163.93 15.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -1.99 11.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.78 11.4 19.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.12 113.86 24.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 30' ' ' SER . 11.1 mt -42.77 148.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.4 HG22 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.81 -17.43 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.45 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 15.8 mt -106.04 158.3 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.667 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 19.2 m-85 -144.11 174.88 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -129.64 125.37 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.485 ' CD2' ' C ' ' A' ' 93' ' ' ASN . 4.3 m-85 -112.82 173.94 6.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.421 ' HG3' ' CE1' ' A' ' 95' ' ' PHE . 20.6 mtp180 -107.02 139.16 41.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.345 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.6 mttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.485 ' C ' ' CD2' ' A' ' 84' ' ' TYR . 5.2 m-80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.99 6.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.421 ' CE1' ' HG3' ' A' ' 85' ' ' ARG . 3.7 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -120.64 151.29 39.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -118.12 98.47 6.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -73.84 110.42 8.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 83' ' ' VAL . 1.5 t -110.93 99.21 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.66 110.39 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mt -67.26 -57.19 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 8.6 p -117.63 -136.37 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' OG1' ' A' ' 17' ' ' THR . 3.6 tt0 -95.9 -31.78 12.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -126.23 32.74 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -139.25 137.7 36.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -160.21 177.02 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 42' ' ' LYS . 2.5 p -146.5 131.13 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.33 91.39 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -92.94 130.54 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -72.64 98.79 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.18 179.05 4.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -117.7 177.88 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.23 4.56 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.02 24.8 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -87.72 148.38 24.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 67' ' ' ASN . 21.9 pt -88.87 170.2 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . . . -66.55 -43.22 85.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -48.76 -38.87 23.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 2.0 mm-40 -61.08 -20.64 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.452 ' CG1' HG21 ' A' ' 70' ' ' VAL . 23.0 mm -98.81 -47.0 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 16.9 tp -55.43 -42.84 74.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.456 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.34 -31.99 70.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.5 ' CG1' ' CE ' ' A' ' 42' ' ' LYS . 15.2 t -82.94 -61.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.426 HG21 ' CG1' ' A' ' 22' ' ' VAL . 73.7 t -44.55 -52.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -42.27 -47.22 4.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -70.42 -43.33 70.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.5 ' CE ' ' CG1' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.32 -29.46 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.511 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.3 pt -105.65 -16.93 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ALA . 19.4 mt-30 76.05 55.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.511 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -131.34 -161.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.1 104.19 12.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.508 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.8 pt-20 -43.17 -44.5 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -58.69 -35.41 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' ALA . 4.3 m-20 -80.15 -7.41 58.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' CB ' HD12 ' A' ' 36' ' ' LEU . 86.5 mt -107.79 -179.6 3.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.444 ' HB3' ' CG ' ' A' ' 63' ' ' GLU . . . -171.26 141.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.49 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -83.05 124.34 30.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.594 HG23 ' CE1' ' A' ' 84' ' ' TYR . 1.5 m -125.93 127.22 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.82 136.63 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.596 HG13 ' CE1' ' A' ' 82' ' ' TYR . 2.6 mm -104.53 108.24 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 t -62.85 164.08 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -46.62 -65.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.58 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.0 67.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -144.38 113.05 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.756 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -77.26 147.4 36.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.75 110.28 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.626 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.444 ' CG ' ' HB3' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -66.44 120.26 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.3 mm? -79.51 -119.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.694 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 9.4 mt-30 -158.5 169.78 10.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.694 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.03 7.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.512 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 3.5 t30 -126.21 -33.86 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.476 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -46.93 110.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -41.62 150.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -109.75 29.69 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.1 tt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 82' ' ' TYR . 18.6 mm -86.71 142.31 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.596 ' CE1' HG13 ' A' ' 55' ' ' ILE . 5.4 m-85 -120.64 177.35 5.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.461 HG13 ' CG1' ' A' ' 14' ' ' VAL . 7.1 p -147.37 122.59 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.594 ' CE1' HG23 ' A' ' 53' ' ' VAL . 3.4 m-85 -112.76 175.91 5.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.66 132.45 44.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.474 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 2.1 m-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo -74.94 55.13 3.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.521 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -130.95 161.99 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.5 t -122.35 97.1 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.534 ' CD2' ' HB3' ' A' ' 23' ' ' SER . 9.0 m80 -84.43 109.99 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.481 ' CG2' HG11 ' A' ' 22' ' ' VAL . 2.4 m -108.18 128.13 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.482 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.5 m-30 -97.51 119.61 36.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' SER . 9.2 mt -72.17 -58.8 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.8 p -113.83 -138.23 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' A' ' 19' ' ' HIS . 4.6 pt-20 -89.53 -35.48 15.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.485 ' CE1' ' HG3' ' A' ' 18' ' ' GLU . 6.6 m170 -127.8 35.8 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.614 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -139.59 134.23 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.953 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.43 ' CB ' ' HA ' ' A' ' 15' ' ' TYR . 24.2 p90 -160.96 172.48 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.481 HG11 ' CG2' ' A' ' 14' ' ' VAL . 2.5 p -148.41 122.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.534 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 1.9 p -83.04 149.57 26.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.48 ' CG2' HG22 ' A' ' 35' ' ' ILE . 92.6 t -140.37 128.46 24.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.521 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 2.8 tptt -83.65 99.17 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' HD13 ' A' ' 35' ' ' ILE . . . -115.78 -179.8 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.6 175.56 8.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.417 ' HA ' ' CD1' ' A' ' 71' ' ' ILE . 15.9 m -75.64 -12.38 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.85 26.82 5.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.63 149.6 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 pt -89.59 165.49 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . . . -61.6 -42.98 99.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.57 -42.85 34.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.477 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 2.0 mm-40 -59.37 -15.42 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.489 HD13 ' CB ' ' A' ' 26' ' ' ALA . 5.6 mm -100.94 -53.94 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 19.2 tp -50.8 -41.74 57.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.88 -30.21 70.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.495 HG11 ' CE ' ' A' ' 42' ' ' LYS . 13.8 t -84.69 -50.52 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 42' ' ' LYS . 94.2 t -54.63 -51.92 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.7 -45.54 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.33 -39.77 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.495 ' CE ' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -63.85 -19.03 64.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.519 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -117.63 0.82 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ALA . 31.4 mt-30 54.89 64.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.519 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -143.21 -162.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -115.23 107.55 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.493 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 8.8 pt-20 -46.43 -41.6 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -60.23 -25.25 65.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ALA . 82.6 m-20 -93.22 -6.77 46.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 43' ' ' ILE . 77.4 mt -107.54 -179.59 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.423 ' N ' HD13 ' A' ' 36' ' ' LEU . . . -169.72 143.79 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -84.07 114.3 21.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.582 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.4 m -117.58 122.67 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.25 154.31 18.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.5 HG13 ' CD1' ' A' ' 82' ' ' TYR . 1.9 mt -124.1 156.14 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 57' ' ' PHE . 7.4 t -109.31 -174.0 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.442 ' N ' ' OG1' ' A' ' 56' ' ' THR . 18.7 t80 -67.61 -55.02 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -34.67 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.97 85.69 1.89 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -157.1 128.15 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -77.67 148.56 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.96 110.23 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.573 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.91 116.02 18.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.4 mm? -74.71 -123.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.718 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 16.3 mt-30 -159.03 170.41 8.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.718 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.01 8.49 2.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.71 -35.07 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.485 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -43.74 103.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tp -41.71 148.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 11.2 m -117.65 67.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.465 HD11 ' CD1' ' A' ' 10' ' ' ILE . 2.4 tt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.484 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.514 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 3.2 mp -100.93 151.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 9.2 m-85 -140.77 166.39 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 p -130.48 123.92 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.582 ' CE1' HG22 ' A' ' 53' ' ' VAL . 4.7 m-85 -115.26 174.51 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.17 138.53 37.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.8 mttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.15 36.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.2 tt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.4 m-85 -133.86 138.35 45.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -95.74 111.43 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 108.29 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -81.33 113.48 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.624 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' A' ' 39' ' ' VAL . 2.9 t -115.56 98.47 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -71.56 141.05 50.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.1 mt -101.22 -56.54 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.402 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 10.5 p -113.8 -138.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -89.62 -34.81 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -131.8 38.84 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.402 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 1.4 m -138.9 141.66 38.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -159.12 178.78 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.493 ' CG2' ' HG2' ' A' ' 42' ' ' LYS . 11.6 p -136.62 135.83 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.2 p -90.42 105.99 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG11 ' CG2' ' A' ' 35' ' ' ILE . 92.2 t -105.82 121.98 58.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -93.09 99.25 11.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.486 ' HB1' ' CD1' ' A' ' 35' ' ' ILE . . . -119.04 -179.5 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' N ' ' OG ' ' A' ' 30' ' ' SER . 13.6 mmtm -72.42 176.3 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 p -81.02 -15.43 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.4 t -132.12 32.8 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -80.96 155.43 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 pt -85.94 167.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' CB ' HD22 ' A' ' 52' ' ' LEU . . . -68.44 -44.98 73.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.42 -46.7 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 26.8 mt-10 -52.55 -44.02 65.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.486 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 6.5 mm -66.62 -40.48 86.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 1.7 mt -52.02 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 34' ' ' GLU . 3.9 pttt -42.51 -31.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.522 ' CG1' ' CE ' ' A' ' 42' ' ' LYS . 41.4 t -80.41 -63.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.47 ' O ' ' C ' ' A' ' 40' ' ' ALA . 84.5 t -52.41 -54.28 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.511 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . . . -35.51 -48.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.6 OUTLIER -74.08 -50.55 19.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.522 ' CE ' ' CG1' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -47.51 -25.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.505 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.2 pt -108.18 -23.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' ALA . 35.3 mt-30 80.73 56.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.505 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -137.15 -161.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.14 108.64 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.511 ' OE1' ' CB ' ' A' ' 40' ' ' ALA . 3.6 pm0 -46.78 -40.32 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' CG ' ' OD1' ' A' ' 49' ' ' ASP . 5.9 pt-20 -59.76 -24.37 64.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -99.07 -7.43 26.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.483 HD13 ' CD1' ' A' ' 43' ' ' ILE . 93.9 mt -106.29 -179.75 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.471 ' HB1' ' CG ' ' A' ' 63' ' ' GLU . . . -173.77 143.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.478 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 1.5 mm? -81.25 116.44 21.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' TYR . 2.3 t -110.86 109.85 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.14 131.72 51.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -123.82 156.28 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -107.98 174.88 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -65.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -59.28 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.79 85.69 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -137.14 117.66 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.529 ' HE2' ' CZ ' ' A' ' 84' ' ' TYR . 2.9 mmtp -74.06 138.57 44.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.19 110.18 3.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.471 ' CG ' ' HB1' ' A' ' 51' ' ' ALA . 1.9 tm-20 -87.81 -4.18 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.3 OUTLIER 38.0 -154.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -120.98 163.22 30.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.65 10.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.88 -2.08 13.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 153.01 40.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.9 mt -75.36 144.68 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.471 HG23 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -108.32 19.49 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.471 ' O ' ' CE2' ' A' ' 82' ' ' TYR . 1.5 mtm180 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 82' ' ' TYR . 3.6 mp -77.88 148.06 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.471 ' CE2' ' O ' ' A' ' 80' ' ' ARG . 96.3 m-85 -135.69 174.66 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 p -134.74 130.79 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.529 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 9.8 m-85 -125.04 164.24 20.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 95' ' ' PHE . 4.9 mpp_? -93.49 142.6 27.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ASP . 1.6 mtpt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.427 ' N ' HD21 ' A' ' 93' ' ' ASN . 1.9 m-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.79 28.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 1.5 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.439 ' CD1' HG13 ' A' ' 71' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.02 147.28 50.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.5 t -110.34 92.98 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 108.291 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -71.19 119.8 15.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.454 ' CG1' HG13 ' A' ' 39' ' ' VAL . 43.8 t -113.9 98.7 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.96 107.4 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.493 HD12 ' CG2' ' A' ' 22' ' ' VAL . 9.8 mt -66.16 -55.75 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.0 p -119.49 -140.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' N ' ' OG1' ' A' ' 17' ' ' THR . 2.7 tp10 -91.26 -32.17 15.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -126.57 33.98 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.603 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.37 137.78 36.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -159.46 173.72 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.493 ' CG2' HD12 ' A' ' 16' ' ' ILE . 2.9 t -142.69 133.89 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 96.57 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' A' ' 35' ' ' ILE . 94.7 t -93.83 119.78 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -88.55 98.24 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.475 ' CB ' HD12 ' A' ' 35' ' ' ILE . . . -112.81 -179.76 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -80.2 173.13 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.8 m -76.76 -7.95 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.85 18.75 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.35 146.47 45.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 67' ' ' ASN . 14.1 pt -89.85 167.13 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -59.93 -44.02 94.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -48.63 -44.41 37.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 2.5 mm-40 -59.12 -15.36 13.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.475 HD12 ' CB ' ' A' ' 26' ' ' ALA . 3.8 mm -102.12 -52.59 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 14.2 tp -52.45 -40.32 62.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -63.61 -29.93 71.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.506 HG11 ' CE ' ' A' ' 42' ' ' LYS . 13.5 t -85.2 -54.3 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' LYS . 40.8 t -52.97 -53.67 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.39 -44.7 0.44 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -46.71 53.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.506 ' CE ' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.17 -21.24 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.505 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.7 pt -110.48 -20.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ALA . 22.8 mt-30 78.23 58.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.505 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -138.3 -162.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.67 107.41 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.489 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.8 pt-20 -47.61 -42.18 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.52 -20.97 63.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' ALA . 75.4 m-20 -97.79 -6.36 32.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 ' CB ' HD12 ' A' ' 36' ' ' LEU . 89.5 mt -108.1 179.84 4.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.431 ' HB3' ' CG ' ' A' ' 63' ' ' GLU . . . -169.39 143.09 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' CD2' ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -83.88 118.46 23.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.591 HG22 ' CE1' ' A' ' 84' ' ' TYR . 1.9 m -119.48 123.29 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.55 156.74 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 1.7 mt -125.89 156.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.2 t -113.69 169.57 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.9 83.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 169.26 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.99 67.41 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -140.12 112.22 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 3.6 mttt -73.23 147.35 44.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.84 110.04 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' CG ' ' HB3' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -79.02 118.12 20.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.4 mm? -76.91 -122.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.705 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 17.5 mt-30 -157.9 170.15 9.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.705 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.94 10.96 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.461 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.7 t30 -128.91 -36.71 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.486 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -41.13 116.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -50.86 144.29 8.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.424 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 12.1 m -113.3 50.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.439 HG13 ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 82' ' ' TYR . 29.5 mm -88.03 148.27 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.457 ' N ' HG21 ' A' ' 81' ' ' ILE . 88.8 m-85 -133.6 177.22 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.419 HG12 ' CG1' ' A' ' 14' ' ' VAL . 2.4 p -144.68 129.09 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.591 ' CE1' HG22 ' A' ' 53' ' ' VAL . 5.8 m-85 -121.28 169.62 10.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -94.08 139.37 31.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 49' ' ' ASP . 1.3 mtpt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 m120 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 130.15 13.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -134.63 135.45 42.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' VAL . 35.6 t -108.0 121.67 45.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.35 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.409 ' NE2' ' HB2' ' A' ' 23' ' ' SER . 59.3 m80 -108.21 121.01 43.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 1.1 m -112.37 122.91 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 80' ' ' ARG . 3.4 m-30 -90.57 116.48 28.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.431 HG23 ' CD2' ' A' ' 95' ' ' PHE . 1.7 mp -71.68 -55.1 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.4 p -117.91 -137.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.08 -40.31 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -123.72 33.01 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' ILE . 3.1 m -136.87 135.83 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.487 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 29.2 p90 -160.69 176.66 11.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.511 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 2.4 t -132.51 133.8 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.409 ' HB2' ' NE2' ' A' ' 13' ' ' HIS . 2.2 p -95.46 109.24 21.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' CYS . 51.8 t -107.79 144.73 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 11.6 tttt -111.09 98.78 7.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.494 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -124.05 -179.55 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -88.75 175.68 7.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -77.12 -14.51 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.0 t -113.27 7.36 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.464 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -72.75 128.36 35.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 pt -67.44 164.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.454 ' CB ' HD22 ' A' ' 52' ' ' LEU . . . -60.69 -43.41 97.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -48.86 -40.23 28.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 2.5 mm-40 -59.55 -15.51 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.494 HD11 ' CB ' ' A' ' 26' ' ' ALA . 6.1 mm -101.76 -51.69 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 14.3 tp -53.72 -40.09 65.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -62.81 -30.23 71.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.498 HG11 ' CE ' ' A' ' 42' ' ' LYS . 13.7 t -83.29 -58.65 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.481 ' CG1' HG23 ' A' ' 14' ' ' VAL . 81.2 t -47.8 -55.08 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.28 -44.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -69.69 -44.78 69.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.511 ' HG2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -52.34 -29.18 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.515 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.2 pt -104.49 -18.64 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.7 mt-30 76.69 55.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.515 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -131.05 -162.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -111.43 101.39 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.475 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.2 pt-20 -42.64 -43.85 4.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.63 -35.02 71.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ALA . 13.9 m-20 -79.91 -14.16 58.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.528 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -102.88 -179.65 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.06 150.08 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -82.13 110.57 17.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 82' ' ' TYR . 16.4 t -102.93 109.9 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.64 117.63 33.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.2 mt -94.32 158.33 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.2 t -114.54 177.75 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.64 -55.66 32.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.18 -31.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.95 67.22 0.94 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -146.2 132.68 19.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.404 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -71.23 149.54 46.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.84 130.13 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.565 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.96 141.73 36.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.27 -159.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.29 162.98 19.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.2 Cg_endo -75.04 -5.33 16.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -110.45 -3.07 16.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.6 130.02 40.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tp -55.63 148.1 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.83 45.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.419 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.3 mp -91.95 153.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 12.4 m-85 -135.89 176.27 8.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.469 HG12 ' CG2' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -139.89 113.1 5.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -107.42 174.19 5.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 45' ' ' TYR . 30.8 mtm105 -105.11 138.43 41.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.7 mttt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.469 ' ND2' ' N ' ' A' ' 93' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.7 6.74 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.431 ' CD2' HG23 ' A' ' 16' ' ' ILE . 1.5 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.533 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 12.9 m-85 -135.42 155.54 50.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -112.66 101.35 9.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 108.319 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -71.26 109.69 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.587 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.479 HG11 ' CG1' ' A' ' 22' ' ' VAL . 2.1 t -106.56 105.84 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.517 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 4.1 m-85 -85.43 117.39 24.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 mt -73.77 -60.42 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.409 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 71.7 p -112.84 -135.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.583 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 12.7 pt-20 -95.57 -34.26 12.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 90.8 m-70 -125.71 34.17 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.409 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 1.5 m -139.84 141.12 36.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -159.05 -178.61 7.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.479 ' CG1' HG11 ' A' ' 14' ' ' VAL . 2.3 p -153.71 137.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 22' ' ' VAL . 5.5 p -88.74 131.42 35.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 39' ' ' VAL . 56.4 t -128.7 116.24 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -82.11 98.82 8.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.473 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -116.26 179.94 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -71.11 176.45 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.0 p -79.58 -5.07 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.2 m -144.57 34.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.966 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.92 157.21 31.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.049 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.8 pt -96.64 162.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 35' ' ' ILE . . . -58.73 -45.1 90.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -45.52 -48.69 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.503 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 40.6 mt-10 -57.83 -29.65 65.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.473 HD11 ' CB ' ' A' ' 26' ' ' ALA . 10.3 mm -83.64 -40.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 15.8 tp -56.61 -51.53 68.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.507 ' CB ' ' OE2' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -55.47 -31.61 62.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 41.6 t -79.79 -65.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.474 HG23 ' CG2' ' A' ' 24' ' ' VAL . 97.7 t -45.6 -53.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -37.66 -44.25 0.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.02 -44.8 60.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -55.53 -21.77 18.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.523 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.3 pt -111.89 -16.3 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 40' ' ' ALA . 23.9 mt-30 73.46 58.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.523 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -138.17 -162.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.99 107.68 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.515 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.8 pt-20 -45.49 -44.48 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.89 -25.73 65.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ALA . 2.6 m-20 -90.38 -6.66 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 43' ' ' ILE . 62.6 mt -107.31 169.05 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -153.12 133.33 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -83.7 118.71 24.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 82' ' ' TYR . 5.7 m -133.31 133.26 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . . . -94.95 157.45 15.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.54 HG13 ' CD1' ' A' ' 82' ' ' TYR . 3.1 mt -127.8 157.1 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 t -109.33 166.91 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -48.66 -55.61 10.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.78 -65.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.66 72.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -146.15 130.61 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 3.3 mtmm -80.2 144.08 33.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.87 111.9 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.475 ' HG3' ' CG1' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -85.76 149.85 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.16 -154.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -108.16 163.1 17.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -2.91 13.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.99 -4.51 13.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.58 125.07 25.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.72 142.13 24.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.401 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -108.14 19.02 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 47.4 mm -85.9 145.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CD1' HG13 ' A' ' 55' ' ' ILE . 63.1 m-85 -140.74 138.85 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.446 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 8.0 p -104.82 153.93 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.705 ' CD1' ' O ' ' A' ' 93' ' ' ASN . 54.5 m-85 -155.44 175.97 13.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -91.47 124.1 35.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.705 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.59 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 124.48 8.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 8.6 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.464 HG12 ' CD1' ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -134.94 148.09 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.8 t -113.25 115.54 28.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -90.57 121.85 32.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.418 ' CG1' HG12 ' A' ' 83' ' ' VAL . 23.0 t -120.07 98.62 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.4 m-85 -70.07 113.1 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.501 HD13 ' CG2' ' A' ' 22' ' ' VAL . 12.0 mt -72.42 -60.9 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -106.83 -135.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.79 -33.16 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -128.22 35.87 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -139.3 143.08 37.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -159.17 -178.58 7.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.543 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 4.1 t -142.64 141.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.0 p -100.54 91.21 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.6 t -90.79 123.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.5 98.91 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.446 ' CB ' HD12 ' A' ' 35' ' ' ILE . . . -117.84 -179.79 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -74.42 176.45 6.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.2 p -80.44 -7.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 t -139.72 31.45 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.43 160.06 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 pt -92.59 166.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.492 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . . . -60.78 -43.5 98.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -48.62 -43.31 36.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -58.07 -20.75 41.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.463 ' CG1' HG22 ' A' ' 70' ' ' VAL . 4.5 mm -101.12 -48.27 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 13.0 tp -56.44 -39.48 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -62.49 -31.13 71.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.5 ' CG1' ' CE ' ' A' ' 42' ' ' LYS . 12.5 t -83.61 -56.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' ALA . 95.0 t -48.59 -54.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.39 -49.25 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -69.1 -44.6 72.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.543 ' HG2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -51.93 -29.62 20.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.502 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.5 pt -104.17 -18.71 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ALA . 34.7 mt-30 78.61 55.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -132.41 -160.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -114.57 103.94 11.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.8 pt-20 -45.33 -42.91 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -60.12 -31.1 69.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 46' ' ' ALA . 44.8 m-20 -88.11 -3.88 58.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.9 mt -108.03 177.1 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HB2' ' CG ' ' A' ' 63' ' ' GLU . . . -168.49 144.88 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 32' ' ' ALA . 1.5 mm? -83.13 119.11 24.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 61' ' ' LYS . 75.0 t -107.68 109.65 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.457 ' CB ' HD22 ' A' ' 64' ' ' LEU . . . -88.77 143.99 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 61' ' ' LYS . 4.1 mm -115.73 146.04 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -120.57 -178.59 3.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.433 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -44.9 166.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.24 -72.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.2 68.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -126.8 124.11 38.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 55' ' ' ILE . 7.5 mttt -90.32 148.67 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -149.97 126.25 10.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.547 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 1.2 tt0 -89.08 115.52 26.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.5 mm? -75.36 -123.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.7 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 7.7 mt-30 -157.86 170.65 8.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.7 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.99 8.37 2.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.66 -34.32 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.457 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -50.47 125.34 12.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.7 mt -50.25 152.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.463 HG22 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.9 -14.61 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 10' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.41 HD11 ' N ' ' A' ' 81' ' ' ILE . 4.3 mp -110.33 158.66 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.468 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 96.2 m-85 -140.55 176.91 8.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.418 HG12 ' CG1' ' A' ' 14' ' ' VAL . 2.5 p -134.09 128.04 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.433 ' OH ' ' CD ' ' A' ' 61' ' ' LYS . 5.1 m-85 -116.56 170.06 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 4.4 ttm105 -97.18 120.71 38.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -178.48 4.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -135.64 147.28 48.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.1 t -108.9 95.34 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.411 ' HB2' ' NH1' ' A' ' 80' ' ' ARG . 13.3 m80 -80.71 111.74 17.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' CG2' ' CG1' ' A' ' 22' ' ' VAL . 3.2 m -108.39 128.71 63.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.563 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.9 m-30 -95.67 115.06 26.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' SER . 2.7 mt -64.45 -56.54 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.418 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 71.0 p -118.83 -134.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.2 -37.98 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.25 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -125.52 35.39 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.58 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' ILE . 1.5 m -139.77 137.03 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 24.4 p90 -160.63 171.27 19.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.5 ' CG1' ' CG2' ' A' ' 14' ' ' VAL . 2.5 p -144.5 122.97 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -76.23 147.42 38.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.436 ' CG1' HG21 ' A' ' 35' ' ' ILE . 38.1 t -139.25 127.36 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 tttt -91.31 98.46 11.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.478 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -120.94 178.94 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -80.49 171.08 15.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.96 -13.4 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -126.21 26.95 6.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.448 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -82.09 129.09 34.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 33' ' ' GLN . 8.5 pt -70.55 163.7 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.421 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . . . -57.74 -40.79 80.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.4 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 2.5 tp-100 -51.24 -44.19 61.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.469 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 50.2 mm-40 -60.59 -15.37 27.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.478 HD11 ' CB ' ' A' ' 26' ' ' ALA . 5.4 mm -97.12 -50.43 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . 21.3 tp -52.04 -45.65 64.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -58.53 -27.71 64.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.514 HG11 ' CE ' ' A' ' 42' ' ' LYS . 19.9 t -85.8 -48.56 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 42' ' ' LYS . 95.8 t -57.74 -51.98 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.77 -46.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -39.42 74.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.514 ' CE ' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -62.81 -20.26 64.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.556 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -120.23 5.77 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' ALA . 29.0 mt-30 50.07 62.73 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.556 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -135.84 -161.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -116.67 105.3 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 8.7 pt-20 -44.09 -47.26 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.1 -26.91 61.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ALA . 49.9 m-20 -91.51 -4.53 55.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' CB ' HD12 ' A' ' 36' ' ' LEU . 81.1 mt -107.12 168.73 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -153.32 136.81 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.508 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -82.42 111.62 18.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 82' ' ' TYR . 59.5 t -115.56 131.84 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -105.21 156.5 18.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.572 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.4 mt -126.86 157.87 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -107.6 168.96 8.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -46.25 -58.3 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 63.4 m -44.42 -65.5 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.91 74.58 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -145.75 123.45 11.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 0.771 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 7.3 mtmt -70.87 141.7 51.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -139.16 112.13 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.83 132.7 35.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.55 -159.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -105.67 163.63 16.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.55 3.07 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -77.12 112.05 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.8 131.26 14.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.421 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 4.1 m -93.68 24.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 mm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 13' ' ' HIS . 1.2 mmp_? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.416 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 42.7 mm -87.32 159.21 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.572 ' CD1' HG13 ' A' ' 55' ' ' ILE . 33.8 m-85 -141.03 142.8 34.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.455 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 3.4 p -110.68 152.63 12.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.69 ' CD1' ' O ' ' A' ' 93' ' ' ASN . 57.3 m-85 -154.35 177.54 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.577 ' HG2' ' CE1' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -99.0 117.94 34.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.69 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 14.3 m-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.539 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -75.03 132.92 15.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 85' ' ' ARG . 33.8 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.44 154.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.751 . . . . 0.0 110.053 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -166.92 101.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.6 139.79 35.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -85.19 122.76 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.025 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -164.3 122.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . 66.29 -179.93 11.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER 35.22 40.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.29 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 120.28 24.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 71' ' ' ILE . 0.6 OUTLIER -148.37 178.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 7.8 m-85 -134.98 150.94 50.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.3 t -111.35 124.4 52.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.08 . . . . 0.0 108.287 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -88.18 119.92 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.543 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.44 HG12 ' CG1' ' A' ' 22' ' ' VAL . 2.4 t -121.62 106.63 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.48 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 m-85 -81.65 122.36 27.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.0 mt -82.13 -57.16 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.6 p -113.81 -139.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -36.37 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -130.06 37.65 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.622 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -139.2 145.31 39.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.97 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.48 -178.51 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.44 ' CG1' HG12 ' A' ' 14' ' ' VAL . 2.8 p -143.38 123.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 p -78.11 119.61 21.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 74.0 t -118.99 130.11 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -97.35 99.59 11.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' HB1' ' CD1' ' A' ' 35' ' ' ILE . . . -123.17 179.08 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -73.57 176.04 6.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.236 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.19 -11.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.1 t -134.8 32.87 3.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.4 138.84 33.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.2 pt -67.7 164.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . . . -60.64 -44.23 96.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -42.84 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 3.1 mm-40 -56.8 -20.68 23.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 6.1 mm -97.28 -47.05 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 15.0 tp -55.31 -42.73 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.14 -29.87 70.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 17.4 t -82.88 -56.97 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 40' ' ' ALA . 65.6 t -52.21 -53.04 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -37.65 -47.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -43.32 64.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.475 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.92 -17.95 41.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.506 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -111.79 -15.73 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' ALA . 40.2 mt-30 73.92 59.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.506 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -143.38 -161.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -116.11 108.46 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 10.3 pt-20 -46.37 -41.83 14.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -60.7 -28.9 68.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -91.78 -4.53 54.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 43' ' ' ILE . 89.6 mt -108.35 176.76 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -162.92 147.77 11.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 1.1 mm? -83.79 116.27 22.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.528 ' CG2' ' CD1' ' A' ' 84' ' ' TYR . 54.6 t -102.09 112.2 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.35 119.27 32.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 56' ' ' THR . 2.4 mt -115.28 154.89 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.402 ' N ' HG22 ' A' ' 55' ' ' ILE . 7.3 t -107.5 177.13 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.84 -56.95 15.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.75 -44.64 3.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.05 77.85 0.83 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -143.42 122.92 13.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 110.285 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.555 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 0.9 OUTLIER -71.6 142.77 49.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.75 142.12 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.574 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.33 147.6 44.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.36 -157.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -105.9 163.11 17.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.03 16.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.94 -4.53 17.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -73.98 138.69 44.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.3 156.12 13.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.68 -41.65 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.468 ' CD1' HG12 ' A' ' 10' ' ' ILE . 4.2 tt -113.33 70.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.8 p -108.74 -56.16 2.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.0 82.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.4 t -82.6 -55.8 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.72 82.26 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -161.95 108.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.66 108.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.66 157.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 177.51 150.19 8.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.03 120.29 10.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 110.261 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 52.1 mt -86.79 158.64 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 77.6 m-85 -138.18 177.53 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.1 p -136.63 127.7 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.555 ' CE2' ' HD3' ' A' ' 61' ' ' LYS . 5.8 m-85 -118.31 160.44 21.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -93.3 124.63 37.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -64.45 112.66 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.79 -165.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -95.14 8.39 43.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' THR . . . -122.94 143.28 50.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -40.06 -41.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.357 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' ALA . 2.5 p -58.26 168.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.457 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 7.2 mt -118.68 -52.37 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 61.84 141.05 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -166.23 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 20.9 m-85 -105.68 -174.43 2.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -115.5 -54.69 2.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -175.28 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 m120 41.18 86.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.47 167.5 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.96 -177.06 16.54 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.03 43.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.95 146.28 27.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t 39.56 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -141.37 -58.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 m -73.47 141.0 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.52 -151.12 21.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t 63.29 72.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.023 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.36 -177.05 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.73 141.22 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.458 ' CB ' HG13 ' A' ' 28' ' ' VAL . 14.8 mt-10 -138.93 61.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.78 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -84.12 113.65 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -166.07 159.92 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -130.97 143.37 50.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -107.71 102.91 12.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -73.7 118.83 17.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.563 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.464 HG11 ' CG1' ' A' ' 22' ' ' VAL . 2.3 t -119.21 102.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.517 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 m-85 -77.64 127.64 32.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.8 mt -87.67 -54.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.9 p -117.02 -139.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.517 ' HG3' ' CG ' ' A' ' 19' ' ' HIS . 10.5 pt-20 -85.54 -42.94 13.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.243 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.517 ' CG ' ' HG3' ' A' ' 18' ' ' GLU . 8.2 m170 -125.77 35.38 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -134.26 143.64 47.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -159.38 -178.34 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.464 ' CG1' HG11 ' A' ' 14' ' ' VAL . 2.7 p -144.06 122.19 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -74.87 128.14 34.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 96.6 t -130.02 122.92 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -92.16 98.8 11.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.472 ' CB ' HD12 ' A' ' 35' ' ' ILE . . . -112.39 -179.83 3.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -82.41 176.44 9.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.458 HG13 ' CB ' ' A' ' 8' ' ' GLU . 15.2 m -74.04 -19.22 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.3 t -121.39 16.04 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.09 144.14 55.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.3 pt -88.62 164.23 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.421 ' CB ' HD23 ' A' ' 52' ' ' LEU . . . -57.73 -40.2 79.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.6 OUTLIER -53.93 -41.06 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.468 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 36.6 mt-10 -59.2 -15.07 12.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.472 HD12 ' CB ' ' A' ' 26' ' ' ALA . 6.6 mm -103.44 -48.03 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 13.2 tp -57.6 -39.24 76.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' HE2' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.32 -30.28 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.473 HG11 ' CE ' ' A' ' 42' ' ' LYS . 12.2 t -84.79 -52.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 42' ' ' LYS . 62.9 t -54.94 -52.64 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -38.24 -46.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -42.46 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.473 ' CE ' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.99 -18.25 56.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.51 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -111.57 -13.74 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' ALA . 25.5 mt-30 71.89 60.39 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.51 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -144.0 -163.33 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -115.0 106.7 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.8 pt-20 -44.95 -41.15 7.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 4.2 pt-20 -60.77 -33.47 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 46' ' ' ALA . 67.4 m-20 -87.25 -4.83 59.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD11 ' CD1' ' A' ' 43' ' ' ILE . 89.4 mt -107.56 -179.78 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -165.98 148.25 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -83.56 114.51 21.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.495 HG11 ' CE1' ' A' ' 84' ' ' TYR . 8.8 t -100.56 116.18 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.34 107.25 18.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 2.8 mt -86.23 158.14 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.405 ' N ' HG21 ' A' ' 55' ' ' ILE . 7.3 t -106.99 167.79 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.85 -60.88 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.8 m -39.65 -67.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.04 72.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -151.18 129.44 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -72.11 150.95 43.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.97 118.84 6.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.13 149.67 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.15 -159.58 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.08 164.31 16.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -2.4 12.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -137.31 44.88 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 69' ' ' LEU . 26.8 t70 -96.04 -12.82 24.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER 84.7 128.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.403 ' N ' HD11 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -106.93 45.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.467 ' O ' ' CG1' ' A' ' 71' ' ' ILE . 0.8 OUTLIER 178.27 50.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -179.44 99.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.88 47.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 40.01 40.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.32 -51.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 64.15 155.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 51.77 178.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m 62.35 165.42 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.43 167.35 40.14 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 15' ' ' TYR . 5.7 mtm180 -144.19 110.97 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.0 mm -78.11 155.59 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 73.3 m-85 -138.83 177.18 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.76 134.13 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.581 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 11.0 m-85 -127.65 169.79 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 95' ' ' PHE . 50.3 mtm180 -96.77 137.31 36.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' ASP . 13.5 mtpt -107.88 129.81 55.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -173.86 176.99 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -41.28 99.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 88' ' ' LEU . . . 161.42 -27.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER 72.77 -59.72 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.4 m -52.27 176.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 38.2 mt -134.11 125.53 28.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -107.71 151.29 41.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.55 41.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.442 1.759 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.541 ' CZ ' ' HG3' ' A' ' 85' ' ' ARG . 14.8 m-85 -78.27 -177.64 5.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 44.06 76.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -98.6 69.55 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -136.83 -55.4 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 p -101.17 159.55 15.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.95 163.31 12.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.52 5.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.41 139.15 39.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.03 136.39 57.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.21 137.93 33.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.59 -57.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.73 100.54 0.21 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.68 98.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -167.72 -58.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.04 80.36 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -169.24 50.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 110.253 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -74.27 125.72 29.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' CD1' ' CD1' ' A' ' 71' ' ' ILE . 1.3 tt -163.9 152.89 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -123.27 156.18 35.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.4 t -123.18 112.86 18.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 108.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -86.44 120.75 28.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.583 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.468 ' CG1' HG11 ' A' ' 39' ' ' VAL . 53.0 t -114.15 98.78 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -73.48 105.12 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.494 HD13 ' CG2' ' A' ' 22' ' ' VAL . 9.0 mt -63.09 -59.16 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.7 p -115.48 -139.24 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -94.53 -34.1 12.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -123.03 31.6 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 m -139.68 144.85 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -159.62 178.17 10.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.494 ' CG2' HD13 ' A' ' 16' ' ' ILE . 2.9 t -141.18 139.61 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p -96.02 95.65 8.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 96.5 t -97.23 148.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -98.92 98.84 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' CB ' HD12 ' A' ' 35' ' ' ILE . . . -100.02 179.81 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -116.51 177.41 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 p -73.34 -11.09 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -147.33 46.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.8 t -102.59 138.95 38.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 33' ' ' GLN . 11.4 pt -74.97 162.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.477 ' CB ' HD13 ' A' ' 52' ' ' LEU . . . -60.82 -41.52 95.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -49.11 -43.73 41.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.473 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 64.1 mm-40 -56.02 -19.6 13.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.46 HD12 ' CB ' ' A' ' 26' ' ' ALA . 10.7 mm -100.67 -47.7 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 HD13 ' CA ' ' A' ' 51' ' ' ALA . 13.2 tp -56.41 -39.34 72.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.02 -31.2 72.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.477 HG12 ' CE ' ' A' ' 42' ' ' LYS . 12.4 t -82.75 -52.88 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.468 HG11 ' CG1' ' A' ' 14' ' ' VAL . 45.1 t -54.99 -52.43 43.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -38.51 -45.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.58 -43.24 63.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.477 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.6 -18.49 41.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.505 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -111.51 -16.89 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.0 mt-30 73.91 60.67 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -142.44 -162.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -114.52 104.6 12.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.466 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 10.6 pt-20 -44.52 -40.3 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.58 -35.86 77.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' ALA . 80.4 m-20 -87.33 -4.89 59.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.475 HD12 ' CD1' ' A' ' 43' ' ' ILE . 92.0 mt -107.94 -179.42 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.467 ' CA ' HD13 ' A' ' 36' ' ' LEU . . . -168.8 146.15 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 32' ' ' ALA . 44.4 mt -83.34 112.68 20.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.406 ' CG1' ' HB2' ' A' ' 61' ' ' LYS . 74.6 t -101.94 127.81 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -106.26 147.61 28.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.672 ' CD1' ' CB ' ' A' ' 61' ' ' LYS . 16.2 mm -112.24 149.67 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -120.94 -178.42 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.62 162.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.93 -65.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.42 72.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -136.93 111.95 8.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.743 . . . . 0.0 110.271 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.672 ' CB ' ' CD1' ' A' ' 55' ' ' ILE . 1.4 ptpt -79.95 153.17 29.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -138.34 156.34 47.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.56 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' HG3' ' CD1' ' A' ' 92' ' ' LEU . 2.2 tt0 -118.04 115.04 24.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -95.32 -159.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -110.74 163.68 16.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.43 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.3 Cg_endo -74.94 -1.22 10.92 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.57 -8.72 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.02 128.74 37.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 mt -56.93 146.17 27.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.71 34.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.44 ' O ' ' CG1' ' A' ' 71' ' ' ILE . 0.4 OUTLIER -155.87 50.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.87 137.25 3.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.48 160.99 41.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -51.98 -60.37 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.85 48.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.26 158.34 15.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -112.93 -69.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.7 m -88.91 159.81 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.986 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.43 159.17 9.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.34 -164.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 mm -124.22 150.99 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.616 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 78.3 m-85 -123.47 177.2 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.588 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -140.21 131.4 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.566 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 9.0 m-85 -125.73 151.36 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.434 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -92.81 134.41 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -85.58 142.05 29.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -171.94 -75.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 50.6 mt -70.78 95.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 51.72 -143.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -96.28 31.35 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -91.89 170.7 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 87.4 mt -151.58 125.79 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -119.9 152.08 53.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 120.0 5.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 83' ' ' VAL . 18.3 m-85 -40.9 -63.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.01 80.84 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.5 -63.32 1.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.84 104.56 16.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.08 100.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.15 -179.89 44.13 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -41.45 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.9 p -97.3 162.18 13.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.45 81.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -105.63 170.56 7.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.007 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.09 91.01 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.0 -147.44 5.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -140.83 93.07 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.79 147.21 36.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.1 122.15 5.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 178.9 60.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.95 130.13 36.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.47 HG12 ' CD1' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -154.7 169.22 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.496 ' CZ ' ' HD2' ' A' ' 25' ' ' LYS . 2.1 m-85 -134.29 138.15 44.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.48 128.39 50.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.266 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -91.33 109.18 20.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.502 HG11 ' CG1' ' A' ' 22' ' ' VAL . 1.8 t -111.96 103.98 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.556 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 3.3 m-85 -78.15 144.51 36.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.4 mt -106.82 -56.7 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.2 p -111.35 -137.88 0.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' N ' ' OG1' ' A' ' 17' ' ' THR . 2.8 tt0 -91.84 -30.45 16.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -136.65 41.07 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.628 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.407 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 1.3 m -139.16 141.67 38.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -159.2 -178.19 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.502 ' CG1' HG11 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -142.51 133.52 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 p -90.02 101.33 14.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.1 t -99.35 122.98 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 11' ' ' PHE . 3.3 tttt -92.33 98.78 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.468 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -117.73 -179.78 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -75.15 176.51 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.7 p -80.7 -3.55 6.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -138.03 26.83 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.44 147.96 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 pt -87.17 164.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' CB ' HD13 ' A' ' 52' ' ' LEU . . . -55.69 -41.9 74.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 1.9 tp60 -54.03 -39.35 66.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.08 -11.88 22.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.468 HD11 ' CB ' ' A' ' 26' ' ' ALA . 7.4 mm -107.65 -44.24 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 13.4 tp -58.79 -39.76 82.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.455 ' CE ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.48 -30.82 70.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.468 HG12 ' CE ' ' A' ' 42' ' ' LYS . 16.4 t -82.25 -57.61 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.465 HG22 ' CG1' ' A' ' 22' ' ' VAL . 93.5 t -47.71 -55.15 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.39 -42.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -43.3 62.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HG2' ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -56.64 -25.16 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.512 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.4 pt -107.2 -17.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 40' ' ' ALA . 20.3 mt-30 74.95 59.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.512 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -137.49 -162.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -111.45 103.8 12.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 10.6 pt-20 -43.7 -40.91 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -60.18 -37.56 80.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 46' ' ' ALA . 75.8 m-20 -80.23 -7.9 59.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 92.8 mt -107.83 176.01 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.56 141.44 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.483 HD13 ' CB ' ' A' ' 32' ' ' ALA . 43.2 mt -84.04 113.75 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.573 HG21 ' CE1' ' A' ' 84' ' ' TYR . 1.7 m -115.99 133.04 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' HIS . . . -108.77 139.09 44.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.7 mt -104.79 153.81 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 57' ' ' PHE . 7.8 t -116.08 -175.46 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.367 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' N ' ' OG1' ' A' ' 56' ' ' THR . 2.3 t80 -51.46 164.6 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m 69.14 -65.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' PHE . . . 145.34 86.52 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -145.98 118.56 8.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -70.66 152.46 43.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -149.99 110.28 4.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.559 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.36 131.64 34.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -108.05 -158.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.2 163.51 16.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.4 Cg_endo -74.98 -4.01 14.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -112.67 0.04 15.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.15 141.72 52.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.0 mt -70.43 134.89 48.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG23 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -106.88 30.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.47 ' CD1' HG12 ' A' ' 10' ' ' ILE . 1.1 tt -168.14 65.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -138.27 -49.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 115.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.47 59.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.41 66.81 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.15 -52.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 60.84 54.09 3.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.3 p -178.99 64.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' O ' ' CD ' ' A' ' 80' ' ' ARG . . . -153.88 175.83 32.03 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.124 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.556 ' HG2' ' CE1' ' A' ' 15' ' ' TYR . 3.9 mpt_? -172.67 136.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 0.0 110.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 82' ' ' TYR . 25.0 mm -79.23 141.65 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.559 ' CD1' HG13 ' A' ' 55' ' ' ILE . 92.4 m-85 -122.98 177.27 5.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.58 127.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.575 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 5.7 m-85 -119.1 155.77 30.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.495 ' HD2' ' CZ ' ' A' ' 95' ' ' PHE . 28.3 mtp180 -88.42 132.01 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -78.38 141.54 38.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -59.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.563 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -177.1 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -95.27 -149.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -101.82 45.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.69 150.27 38.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.371 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.575 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 13.5 mt -131.71 132.69 44.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -110.65 132.95 21.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 131.28 14.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.495 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 0.9 OUTLIER -50.92 149.87 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.96 126.25 51.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.76 140.8 10.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -155.63 125.56 6.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.33 118.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.966 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -120.16 -164.09 12.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 158.66 42.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.6 t 62.03 104.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.1 p -60.83 -58.83 6.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -135.29 98.2 3.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -150.17 117.62 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.31 -133.52 20.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 67.86 157.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 p -164.76 171.55 14.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 105.07 167.54 24.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 2.9 mp0 66.53 -66.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' GLY . 5.0 mt-10 66.39 94.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -166.92 155.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 25' ' ' LYS . 2.7 m-85 -132.32 149.31 52.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' SG ' ' CG2' ' A' ' 35' ' ' ILE . 11.0 t -108.86 100.25 9.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.83 112.82 15.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.604 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.4 t -109.87 98.63 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.618 ' CE2' ' NE ' ' A' ' 80' ' ' ARG . 3.3 m-85 -72.09 104.99 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.477 HD11 ' CG2' ' A' ' 22' ' ' VAL . 10.5 mt -63.41 -58.09 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 p -115.21 -138.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -33.87 13.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -124.76 32.56 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.622 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -139.61 143.44 37.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -159.72 178.68 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.55 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 2.3 t -145.36 127.31 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.436 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -90.96 97.64 11.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.9 t -97.09 122.11 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 11' ' ' PHE . 3.1 tppt? -85.65 98.96 10.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -116.05 179.83 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -76.25 176.37 8.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.25 -10.92 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.8 t -133.16 30.52 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.16 147.18 30.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.8 pt -82.04 164.89 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.466 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . . . -62.05 -42.32 99.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.77 -43.27 37.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 23.5 mt-10 -57.34 -24.22 53.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.475 HD11 ' CB ' ' A' ' 26' ' ' ALA . 6.5 mm -93.66 -50.73 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 18.3 tp -50.85 -44.04 59.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.44 -31.09 68.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.494 HG11 ' CE ' ' A' ' 42' ' ' LYS . 20.8 t -79.63 -64.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 42' ' ' LYS . 96.3 t -44.77 -53.64 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.08 -43.1 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 1.1 mm-40 -72.73 -44.61 61.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.55 ' HG2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -54.23 -25.42 23.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.517 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.6 pt -107.7 -18.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 40' ' ' ALA . 37.3 mt-30 75.06 57.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.517 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -133.87 -161.53 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -112.81 102.24 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.6 pt-20 -41.2 -42.7 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -58.19 -41.32 83.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 46' ' ' ALA . 35.0 m-20 -76.41 -6.95 53.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.0 mt -107.53 176.42 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -163.87 147.57 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -83.16 114.5 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' CG2' HD13 ' A' ' 92' ' ' LEU . 4.1 t -101.23 119.16 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.72 108.48 20.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mt -91.11 157.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.8 t -118.7 174.71 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.426 ' N ' ' OG1' ' A' ' 56' ' ' THR . 7.8 t80 -68.42 59.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' THR . 44.3 t -175.0 34.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' SER . . . 37.51 51.55 1.83 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -124.18 112.31 16.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.474 ' HD3' ' CZ ' ' A' ' 84' ' ' TYR . 2.5 mtmp? -70.58 139.41 51.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.95 117.01 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.29 153.23 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.63 -159.6 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -106.5 163.07 17.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.29 1.08 15.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.3 128.08 32.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -52.5 149.81 5.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.426 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -111.7 4.03 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mp -112.91 -61.53 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.4 p 51.03 -165.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.11 -172.27 3.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.74 65.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.17 32.11 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.38 160.05 40.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.78 178.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.1 p -39.59 -53.01 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.23 176.47 0.4 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.618 ' NE ' ' CE2' ' A' ' 15' ' ' TYR . 5.0 mtp180 -175.23 136.55 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 82' ' ' TYR . 2.9 mp -94.63 148.27 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' VAL . 48.8 m-85 -135.33 177.07 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 3.5 p -137.28 126.93 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.567 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 6.6 m-85 -121.75 156.22 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -85.21 115.84 23.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -64.78 132.36 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -140.59 -169.5 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.609 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.6 OUTLIER -102.91 108.72 20.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 178.24 -77.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.05 -44.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.7 m -93.24 161.35 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 6.3 mt -96.21 151.72 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -127.19 134.07 25.74 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -164.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -115.62 -172.07 2.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.7 136.58 37.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 170.96 172.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 26.1 t30 178.64 168.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 m 64.2 151.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.32 161.21 8.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -164.67 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -163.29 165.64 23.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.6 p -167.55 145.06 4.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.35 152.46 34.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 0.792 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.74 152.14 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.45 127.06 0.85 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -151.83 152.97 33.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 p -107.91 176.64 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.65 139.21 9.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.547 1.154 . . . . 0.0 111.052 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 60.15 75.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.2 145.44 46.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 tt -151.68 178.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.534 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 5.9 m-85 -121.39 137.73 54.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.0 t -111.2 121.89 46.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -90.66 113.84 25.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.623 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG12 ' CG1' ' A' ' 22' ' ' VAL . 2.0 t -117.32 99.62 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.516 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.3 m-85 -74.68 125.91 29.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.1 mt -86.49 -56.06 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 6.1 p -116.74 -137.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.513 ' HG3' ' CG ' ' A' ' 19' ' ' HIS . 10.1 pt-20 -85.72 -43.17 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.513 ' CG ' ' HG3' ' A' ' 18' ' ' GLU . 6.5 m170 -127.19 42.8 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.574 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.407 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 1.0 OUTLIER -139.51 139.84 37.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -159.37 -178.48 7.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.48 ' CG1' HG12 ' A' ' 14' ' ' VAL . 1.4 p -142.73 129.41 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 p -87.77 103.5 15.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.965 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -105.47 124.28 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.534 ' HE2' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -80.6 99.21 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -107.03 171.98 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -88.14 175.83 7.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.0 p -72.76 -12.34 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 t -141.47 42.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -91.19 154.5 19.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 33' ' ' GLN . 10.9 pt -88.6 165.16 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -63.04 -42.25 99.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.463 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -48.22 -42.55 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 39.4 mt-10 -57.28 -16.7 9.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 7.9 mm -102.69 -50.03 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . 13.6 tp -55.44 -39.26 70.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -63.41 -31.66 72.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.48 ' CG1' ' CE ' ' A' ' 42' ' ' LYS . 12.1 t -83.65 -53.81 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.411 HG21 ' CG1' ' A' ' 22' ' ' VAL . 74.2 t -50.17 -55.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.76 -48.4 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -44.13 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.48 ' CE ' ' CG1' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.43 -23.61 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.4 pt -110.32 -18.58 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ALA . 17.6 mt-30 78.91 55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.5 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -133.8 -161.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.52 103.67 11.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 8.7 pt-20 -45.39 -38.98 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 9.0 pt-20 -61.66 -34.46 75.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.4 m-20 -84.43 -4.48 58.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -108.18 -179.75 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.01 149.78 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 1.4 mm? -83.7 117.32 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 61' ' ' LYS . 96.8 t -106.33 126.69 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.32 140.08 40.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.585 ' CG1' ' CE1' ' A' ' 82' ' ' TYR . 10.2 mm -111.34 125.79 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.415 ' CG2' ' HG2' ' A' ' 60' ' ' GLU . 10.2 t -89.3 178.73 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 58' ' ' SER . 6.9 p90 -61.29 -40.88 95.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.577 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -55.99 -22.08 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.21 -22.42 33.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' HG2' ' CG2' ' A' ' 56' ' ' THR . 1.3 pt-20 -61.9 153.57 28.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.775 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.559 ' CB ' ' CD1' ' A' ' 55' ' ' ILE . 3.8 ptmt -108.3 160.36 15.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -143.71 140.4 29.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -103.98 102.43 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -162.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -109.8 163.62 16.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.4 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -109.67 -6.77 15.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' ALA . 11.6 t70 -68.28 138.57 55.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.71 143.9 54.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.448 HG23 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.29 36.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.477 ' O ' ' CG1' ' A' ' 71' ' ' ILE . 0.4 OUTLIER -159.3 57.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.3 p -155.74 152.72 28.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.22 108.55 14.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.71 -67.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.033 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.03 72.95 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.35 164.87 12.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.38 -60.72 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.7 p -155.54 155.77 33.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -157.5 -161.84 11.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.587 ' O ' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -150.18 126.69 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.0 mm -85.09 157.83 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 80' ' ' ARG . 75.4 m-85 -140.24 177.27 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.51 129.06 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.534 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 6.3 m-85 -119.16 159.57 23.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.17 149.23 21.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -106.53 116.09 31.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.73 -52.41 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.465 ' N ' HD22 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -170.17 158.92 7.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 63.4 -161.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.79 39.02 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -106.84 156.46 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 17.7 mt -138.18 139.36 39.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.422 ' ND2' ' N ' ' A' ' 93' ' ' ASN . 1.1 m120 -102.9 132.87 20.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.439 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.02 55.15 3.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER 40.18 -162.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 45.46 63.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -141.86 92.96 2.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.362 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 63.65 107.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.5 m -72.18 89.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -64.17 -148.01 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 110.63 3.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.93 93.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.061 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.2 t -65.87 86.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.5 167.71 19.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 p -153.14 158.36 41.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.982 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.62 -125.28 6.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -91.45 103.65 16.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.86 175.96 2.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.33 -50.54 2.29 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 61.7 63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.47 144.33 26.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' CD1' HD12 ' A' ' 71' ' ' ILE . 1.3 tt -165.83 178.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 17.3 m-85 -134.75 148.31 50.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.9 t -110.31 117.13 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -97.11 113.2 24.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.593 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 5.4 t -115.26 111.76 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.424 ' O ' ' HA ' ' A' ' 82' ' ' TYR . 5.1 m-85 -86.7 132.81 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.585 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.1 mm -93.46 -44.08 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.5 p -134.0 -139.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -89.78 -31.76 17.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.26 34.75 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -135.81 132.8 37.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.8 p90 -161.13 177.64 10.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.577 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 2.1 t -146.38 134.41 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.33 93.81 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.425 HG13 ' CD1' ' A' ' 35' ' ' ILE . 49.8 t -95.37 119.05 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 24.2 tttm -84.27 99.05 10.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -120.44 -179.46 3.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' N ' ' HG ' ' A' ' 30' ' ' SER . 0.3 OUTLIER -77.95 176.82 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 p -83.52 -7.53 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.19 29.44 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.43 ' HG ' ' N ' ' A' ' 27' ' ' LYS . 1.9 p -82.99 157.75 22.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.024 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.418 HG21 ' ND2' ' A' ' 67' ' ' ASN . 12.1 pt -90.18 165.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . . . -61.34 -43.9 98.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.9 OUTLIER -47.34 -45.18 24.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.465 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 41.6 mt-10 -56.0 -21.64 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.477 HD11 ' CB ' ' A' ' 26' ' ' ALA . 5.3 mm -99.74 -49.71 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 15.0 tp -55.31 -40.88 71.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -61.67 -31.98 72.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.7 t -81.93 -58.84 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 42' ' ' LYS . 94.5 t -47.15 -54.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.68 -45.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.35 -44.94 70.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.577 ' HG2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -52.53 -29.6 26.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.1 pt -103.19 -18.6 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.4 mt-30 77.28 55.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.504 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -133.57 -164.76 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -111.49 103.59 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 8.0 pt-20 -39.24 -35.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.58 -48.48 81.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 46' ' ' ALA . 4.2 m-20 -72.7 -5.71 39.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.475 HD11 ' CD1' ' A' ' 43' ' ' ILE . 49.3 mt -107.51 175.4 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -168.83 148.69 4.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.468 ' CD2' ' HB1' ' A' ' 32' ' ' ALA . 1.3 mm? -83.38 114.88 21.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.495 ' CG2' ' CD1' ' A' ' 84' ' ' TYR . 22.4 t -104.14 110.0 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.83 112.18 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 56' ' ' THR . 1.9 mt -97.44 152.95 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.416 ' N ' HG21 ' A' ' 55' ' ' ILE . 7.1 t -114.39 178.85 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.369 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -43.68 166.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.93 -70.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 57' ' ' PHE . . . 149.04 87.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -141.77 117.46 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.338 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 84' ' ' TYR . 10.6 mttp -70.17 147.74 49.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.03 110.63 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.43 147.38 23.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.53 -160.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -104.04 163.49 17.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.2 Cg_endo -75.05 -4.69 15.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.418 ' ND2' HG21 ' A' ' 31' ' ' ILE . 13.9 t-20 -111.0 -3.68 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -76.75 123.47 26.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ASP . 23.0 mt -40.41 152.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -100.79 -85.23 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.435 HD12 ' CD1' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -42.32 -70.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 71' ' ' ILE . 0.2 OUTLIER 36.8 74.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.036 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -100.06 -70.58 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.5 m 67.6 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -137.79 -56.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -43.05 160.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.17 179.85 7.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 m 69.52 164.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 107.78 161.25 21.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' O ' ' CE1' ' A' ' 82' ' ' TYR . 1.1 mpt_? -151.57 126.37 9.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.259 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 82' ' ' TYR . 25.8 mt -91.29 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' VAL . 76.8 m-85 -142.85 177.71 8.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.481 HG13 ' CD1' ' A' ' 16' ' ' ILE . 8.5 p -130.41 135.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.495 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 8.4 m-85 -124.45 152.73 42.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.53 148.99 24.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -98.45 136.62 38.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -110.65 -169.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.415 ' H ' ' CD1' ' A' ' 88' ' ' LEU . 4.8 mp -60.16 -17.34 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.24 174.09 6.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.34 49.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.83 163.88 13.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.488 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 45.0 mt -142.23 130.03 21.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -128.36 148.49 68.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 132.3 15.23 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -64.46 164.13 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 49.42 80.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.45 134.45 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -124.18 150.57 45.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 t -95.06 -57.06 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -143.2 154.33 25.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 176.26 10.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.494 1.786 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.2 t -147.47 70.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.9 p -63.73 152.68 38.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.39 128.02 38.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.973 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 p -92.13 137.97 31.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.23 111.79 0.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 p -132.98 152.92 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 p -82.21 170.0 15.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.57 -69.83 0.37 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -100.22 55.41 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 0.807 . . . . 0.0 110.292 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -47.6 113.52 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 tt -174.58 151.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -131.65 162.87 29.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -124.69 103.02 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.541 ' CD2' ' HB3' ' A' ' 23' ' ' SER . 6.4 m80 -88.96 107.77 19.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.479 HG22 ' CG1' ' A' ' 22' ' ' VAL . 1.9 m -102.75 126.39 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.597 ' O ' ' CD2' ' A' ' 82' ' ' TYR . 3.4 m-30 -97.2 118.31 33.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 20' ' ' SER . 2.1 mt -71.29 -61.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.0 p -111.32 -136.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -90.66 -36.73 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -126.04 34.68 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -139.13 132.87 30.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 15' ' ' TYR . 22.8 p90 -160.88 171.79 18.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.479 ' CG1' HG22 ' A' ' 14' ' ' VAL . 1.8 p -149.38 126.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.541 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 1.5 p -84.43 155.42 22.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 35' ' ' ILE . 94.8 t -147.67 130.83 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -69.44 98.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -100.8 -179.63 4.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -112.21 176.59 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.14 -6.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -148.99 41.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.457 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 35.4 t -97.22 153.93 17.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.1 pt -90.38 166.89 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.477 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . . . -66.79 -40.18 88.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -49.9 -40.41 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 59.1 mt-10 -62.0 -12.56 19.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.456 ' CD1' HG12 ' A' ' 24' ' ' VAL . 32.1 mm -102.29 -47.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . 15.2 tp -56.69 -42.74 79.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HG3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.35 -30.24 70.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG12 ' CE ' ' A' ' 42' ' ' LYS . 19.3 t -83.25 -50.54 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 42' ' ' LYS . 96.2 t -55.93 -52.84 44.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.31 -41.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -41.66 61.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.493 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.57 -31.55 69.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -102.04 -11.88 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ALA . 20.3 mt-30 66.36 62.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.528 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -138.66 -159.77 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.53 103.1 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 11.1 pt-20 -44.14 -43.25 6.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -60.16 -31.82 70.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' ALA . 82.8 m-20 -86.5 -6.35 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 43' ' ' ILE . 71.7 mt -106.99 -179.72 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -166.46 147.06 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -83.43 119.18 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.668 ' CG2' ' CD1' ' A' ' 84' ' ' TYR . 4.2 t -102.73 154.15 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -130.33 125.34 34.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.573 HG13 ' CE1' ' A' ' 82' ' ' TYR . 3.3 mm -97.11 138.53 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' SER . 8.1 t -93.83 166.79 12.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -66.31 69.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' THR . 8.4 m -177.84 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.77 -37.14 1.82 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -47.72 137.37 9.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.518 ' CB ' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -107.38 156.27 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.407 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 11.3 t60 -140.27 153.68 46.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.585 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -108.42 115.7 30.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -89.2 -160.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -109.81 163.51 16.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -1.86 11.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.41 -6.01 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.99 124.05 19.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 30' ' ' SER . 12.6 mt -60.94 131.15 49.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.1 m -104.41 73.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -172.2 -41.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.2 147.82 29.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.1 120.11 38.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 t -47.7 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.09 42.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -118.64 115.35 24.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.65 96.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.37 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.73 94.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.01 -155.11 27.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -174.31 136.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 82' ' ' TYR . 18.5 mm -99.16 150.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 8.9 m-85 -135.12 175.87 9.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 p -140.94 123.23 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.668 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 22.0 m-85 -118.21 166.2 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.4 OUTLIER -97.97 148.49 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -104.7 117.96 35.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.26 -55.92 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.567 ' C ' ' CD1' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -174.74 174.19 2.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . 48.15 -175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -87.43 53.76 2.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.7 p -125.79 157.71 36.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 8.5 mt -129.45 -59.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 62.68 140.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.09 30.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 21.5 m-85 -59.87 172.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.99 178.51 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.46 102.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -128.64 137.9 51.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.2 p -92.18 140.19 29.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.32 155.33 26.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 63.22 6.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.809 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.1 t -68.65 111.4 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.9 p -101.65 81.44 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -159.04 89.35 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m 76.59 -59.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.98 70.48 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -131.42 97.45 4.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.48 142.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.55 134.44 51.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.01 65.34 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.34 119.6 18.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' A' ' 26' ' ' ALA . 7.0 tt -171.1 156.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -128.58 163.28 25.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 t -126.18 106.12 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 108.31 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -84.21 117.84 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.7 t -116.7 99.65 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.449 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.5 m-85 -76.34 133.07 40.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.686 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -93.2 -62.66 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.5 p -104.77 -134.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -98.53 -24.39 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -136.4 39.31 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.405 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 0.7 OUTLIER -139.86 136.56 34.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -160.24 173.51 15.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.535 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 4.9 t -133.54 139.17 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.4 p -101.21 87.29 3.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.45 ' CG1' HD12 ' A' ' 35' ' ' ILE . 71.8 t -92.97 141.13 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -95.2 98.7 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -102.98 162.02 13.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -77.23 176.34 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.87 -10.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m -144.58 41.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.89 149.94 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 pt -88.88 163.9 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . . . -64.73 -40.21 94.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.56 -43.86 36.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 38' ' ' VAL . 39.0 mt-10 -56.66 -35.4 68.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.459 HD11 ' CB ' ' A' ' 26' ' ' ALA . 8.9 mm -85.46 -39.08 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 17.3 tp -56.83 -46.91 81.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' CB ' ' OE2' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -57.91 -31.48 66.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.9 t -80.21 -65.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' ALA . 83.7 t -44.19 -52.86 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.24 -44.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -71.94 -45.19 62.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.535 ' HG2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -53.41 -28.16 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.516 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.4 pt -104.52 -18.98 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' ALA . 26.6 mt-30 75.94 58.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.516 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -136.23 -160.72 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.83 104.07 11.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.2 pt-20 -44.93 -41.9 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -59.34 -33.56 71.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' ALA . 1.3 m-20 -87.71 -3.66 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 85' ' ' ARG . 77.6 mt -107.34 -179.8 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.83 141.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 32' ' ' ALA . 1.6 mm? -83.59 117.1 22.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.552 HG22 ' CE1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -114.36 127.73 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' HIS . . . -97.49 154.55 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 56' ' ' THR . 2.4 mt -133.1 154.39 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.41 ' N ' HG21 ' A' ' 55' ' ' ILE . 5.9 t -100.51 171.86 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' SER . 17.0 t80 -54.01 -60.16 3.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -39.21 -62.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.31 72.25 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -141.06 125.36 17.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -71.88 148.69 45.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -151.03 115.52 5.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.571 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.418 ' HG3' ' CG1' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -91.23 154.62 19.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -130.83 -156.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -112.43 163.15 18.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.49 14.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -109.89 -2.22 17.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -70.45 154.71 41.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.77 141.23 37.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.01 36.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.419 HD13 ' N ' ' A' ' 72' ' ' SER . 1.9 pp -140.1 -47.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.419 ' N ' HD13 ' A' ' 71' ' ' ILE . 3.2 t -62.69 138.01 58.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -144.56 -177.49 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.7 m -63.47 -92.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -166.2 30.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.65 32.39 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 60.99 175.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.64 98.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -120.78 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.91 110.67 5.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.45 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.2 mp -107.43 157.95 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 41.0 m-85 -148.42 176.19 10.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.9 p -131.84 130.57 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.552 ' CE1' HG22 ' A' ' 53' ' ' VAL . 5.6 m-85 -118.45 154.44 32.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -94.88 133.53 38.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -73.41 158.0 35.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -127.47 -171.21 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' CD2' ' H ' ' A' ' 88' ' ' LEU . 2.9 mm? -41.02 -31.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.08 -165.26 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.86 39.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.61 154.3 17.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.449 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 36.8 mt -131.69 137.88 48.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -127.42 150.44 72.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 111.85 3.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -44.33 166.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.62 171.31 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 71.59 70.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -174.62 149.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.7 p -65.86 147.25 53.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.53 157.94 28.84 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.5 5.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.75 168.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -90.85 -58.1 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m 62.53 107.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.66 158.04 39.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.16 -165.27 22.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.13 157.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.951 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -121.21 121.56 38.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.02 69.23 0.21 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -124.46 111.57 15.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.26 137.48 40.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 tt -165.1 169.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -126.73 142.35 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.5 t -112.02 86.65 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.431 ' HD2' ' CE1' ' A' ' 21' ' ' TYR . 73.8 m80 -72.27 124.42 25.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 14' ' ' VAL . 0.7 OUTLIER -115.84 111.86 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.418 ' HA ' ' CB ' ' A' ' 21' ' ' TYR . 3.3 m-85 -82.35 112.63 19.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.158 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.491 HD13 ' CG2' ' A' ' 22' ' ' VAL . 9.5 mt -71.72 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.2 p -108.93 -137.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.25 -37.1 12.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -124.06 32.66 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.549 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -139.4 137.89 36.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 15.4 p90 -160.43 175.63 12.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.582 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 2.7 t -138.26 128.42 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -92.3 109.01 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.7 t -106.32 108.92 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.59 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -77.41 98.2 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.487 ' CB ' HD12 ' A' ' 35' ' ' ILE . . . -115.47 -179.87 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -75.96 176.38 7.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.41 ' CG2' ' CD1' ' A' ' 71' ' ' ILE . 9.9 p -82.97 -3.51 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -132.64 24.05 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.055 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.8 141.76 32.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.8 pt -82.69 163.9 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.48 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . . . -58.41 -42.75 87.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -50.09 -42.15 49.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' O ' HG21 ' A' ' 38' ' ' VAL . 3.6 mm-40 -62.36 -12.72 22.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.487 HD12 ' CB ' ' A' ' 26' ' ' ALA . 11.0 mm -102.46 -53.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . 15.1 tp -49.12 -40.48 32.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -30.74 70.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.482 HG13 ' CE ' ' A' ' 42' ' ' LYS . 13.2 t -80.51 -62.04 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.49 ' CG2' HG22 ' A' ' 14' ' ' VAL . 88.1 t -45.48 -55.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -38.84 -43.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.25 -44.85 62.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.582 ' HG2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -53.28 -29.58 33.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.519 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.7 pt -103.92 -18.63 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 40' ' ' ALA . 39.5 mt-30 75.13 57.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.519 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -131.38 -160.52 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -112.96 99.16 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.48 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.5 pt-20 -41.42 -42.66 2.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.38 -40.02 81.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' ALA . 78.5 m-20 -79.43 -5.2 54.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.445 ' CD2' ' HA ' ' A' ' 85' ' ' ARG . 44.0 mt -106.49 -179.16 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.04 148.43 4.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -83.42 120.94 26.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.59 ' CG2' ' CD1' ' A' ' 84' ' ' TYR . 22.1 t -107.57 146.65 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.89 132.25 56.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.541 HG13 ' CE1' ' A' ' 82' ' ' TYR . 1.2 mm -120.16 102.19 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -62.61 155.95 24.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.676 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 42.8 p90 -57.19 98.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 57' ' ' PHE . 0.9 OUTLIER 154.86 -68.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 154.05 66.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -145.15 103.88 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.526 ' CB ' ' CD1' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -81.1 146.54 30.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -144.42 158.32 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.05 130.69 55.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -109.09 -157.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -110.22 162.77 19.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -4.87 16.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -113.59 21.95 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.99 126.5 35.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' VAL . 4.2 mm? -63.95 91.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -38.24 -44.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.41 ' CD1' ' CG2' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -61.12 -53.81 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 69' ' ' LEU . 29.1 t -46.32 152.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.58 118.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.91 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -174.18 134.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -177.75 145.11 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.37 111.73 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t 51.11 96.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.07 129.59 9.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -132.19 113.18 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.75 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 40.4 mm -80.72 147.0 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.541 ' CE1' HG13 ' A' ' 55' ' ' ILE . 8.1 m-85 -123.81 174.93 7.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 p -141.47 120.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD1' ' CG2' ' A' ' 53' ' ' VAL . 5.7 m-85 -111.86 162.59 15.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.445 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -109.06 124.42 50.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -72.61 123.98 24.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -178.55 141.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.9 mt 61.22 120.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 52.27 -174.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -97.16 48.79 1.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 92' ' ' LEU . 8.9 t -114.96 -160.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.453 ' N ' ' OG1' ' A' ' 91' ' ' THR . 15.9 mt -139.44 -68.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m120 68.6 137.84 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.61 41.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 8.3 m-85 -68.06 172.05 6.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 69.32 80.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -141.17 165.84 26.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -56.09 104.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.7 t -171.05 169.56 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.76 168.3 53.49 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.16 42.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.95 167.0 11.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.04 -58.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 111.047 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -147.97 -59.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m 63.39 128.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.55 -163.16 39.05 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -175.59 160.19 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.62 164.1 10.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.3 -111.1 3.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.57 100.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.728 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -120.17 139.11 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -176.46 171.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -124.61 157.78 34.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.3 t -120.15 104.03 9.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 108.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -77.7 107.48 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.581 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.479 ' CG1' HG22 ' A' ' 39' ' ' VAL . 2.2 t -113.64 108.22 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 3.6 m-85 -83.28 129.21 34.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.6 mt -87.92 -56.42 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.0 p -114.27 -138.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 17' ' ' THR . 3.1 tp10 -90.86 -32.03 16.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -132.54 38.64 3.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 0.9 OUTLIER -139.53 140.36 37.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.04 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -158.61 -178.79 7.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.466 ' CG2' ' HG2' ' A' ' 42' ' ' LYS . 2.4 p -142.18 130.76 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.9 p -91.87 92.63 8.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 35' ' ' ILE . 57.9 t -97.7 135.33 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -79.0 98.84 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.22 179.46 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.66 176.54 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -73.68 -11.72 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.404 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 26.8 t -145.36 44.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.5 t -97.8 147.88 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.524 ' CG2' ' O ' ' A' ' 67' ' ' ASN . 17.3 pt -85.31 166.52 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 35' ' ' ILE . . . -65.0 -43.27 93.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.492 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -46.78 -43.66 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.442 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 1.7 mm-40 -56.83 -25.24 55.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.459 ' CD1' HG13 ' A' ' 24' ' ' VAL . 13.9 mm -97.61 -48.87 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 16.2 tp -54.76 -41.43 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -60.91 -32.95 72.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.47 HG11 ' CE ' ' A' ' 42' ' ' LYS . 15.1 t -80.38 -61.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.479 HG22 ' CG1' ' A' ' 14' ' ' VAL . 69.9 t -43.42 -54.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.37 -43.99 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.92 -43.23 62.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' CE ' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -55.9 -23.02 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.515 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.6 pt -110.89 -17.6 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.1 mt-30 74.74 58.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.515 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -134.2 -160.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.17 101.3 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.474 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 10.3 pt-20 -43.03 -41.19 3.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.95 -39.18 84.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -80.25 -3.93 51.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 85' ' ' ARG . 75.7 mt -107.2 -179.83 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -174.64 139.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.461 ' CD1' HG12 ' A' ' 70' ' ' VAL . 96.4 mt -82.66 113.89 20.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 1.1 m -113.24 114.68 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HB1' ' CD1' ' A' ' 81' ' ' ILE . . . -89.73 148.16 23.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 56' ' ' THR . 2.2 mt -127.79 155.41 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 57' ' ' PHE . 7.0 t -109.49 -173.95 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' A' ' 58' ' ' SER . 13.7 p90 -70.06 -45.42 67.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.587 ' N ' ' CG ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -49.69 -32.32 13.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.985 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.8 66.51 0.9 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.057 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -138.4 132.12 30.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -78.56 147.51 33.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.83 111.01 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.61 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.472 ' HG3' ' CG1' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -90.35 124.72 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.0 mm? -85.84 -125.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.742 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 11.9 mt-30 -156.76 171.44 7.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.742 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.96 11.39 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.524 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -127.6 -37.78 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -44.29 123.6 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 29' ' ' SER . 1.5 tp -53.36 146.98 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -109.13 40.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.4 tt -138.79 -49.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 t -50.56 131.63 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' CE ' ' O ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -170.09 111.09 0.42 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.8 m -102.9 -73.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.98 -52.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -48.67 -47.79 40.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -125.54 122.92 37.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.67 171.23 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.7 -93.66 0.69 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.572 ' HG2' ' CE1' ' A' ' 15' ' ' TYR . 2.9 mpt_? -148.31 124.03 10.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 0.749 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.457 ' CD1' ' HB1' ' A' ' 54' ' ' ALA . 32.3 mm -76.05 138.86 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 15' ' ' TYR . 68.1 m-85 -121.83 161.81 22.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.442 HG11 ' CG1' ' A' ' 14' ' ' VAL . 2.0 p -128.31 132.81 67.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.533 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 6.2 m-85 -120.01 152.99 36.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.422 ' HA ' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -96.28 122.69 39.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -64.01 152.2 40.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 89' ' ' ALA . 1.6 m-20 168.32 -69.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.4 mt -69.3 64.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ASP . . . 63.6 -161.87 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -26.44 60.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -53.41 172.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.533 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 41.1 mt -140.93 137.65 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.38 143.4 28.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 131.42 14.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -56.63 172.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 47.58 73.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.15 -63.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.37 140.21 57.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.5 p -75.88 134.25 40.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.24 115.56 1.19 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.99 38.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.9 p -170.82 94.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -149.34 98.73 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.058 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.28 113.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -165.74 140.3 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.76 128.5 2.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 6' ' ' SER . 1.0 OUTLIER 171.87 158.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.986 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.0 OUTLIER 80.0 123.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.23 -167.49 54.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.42 ' CB ' HG12 ' A' ' 28' ' ' VAL . 19.6 mp0 -41.25 -64.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 39.35 72.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -136.61 146.72 28.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 6.8 m-85 -125.86 137.35 53.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -98.53 111.99 24.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 108.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -78.75 111.51 14.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.592 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.474 HG12 ' CG1' ' A' ' 22' ' ' VAL . 2.3 t -108.52 99.12 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -79.77 113.12 17.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.4 mt -66.77 -59.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.524 ' CG2' ' OG ' ' A' ' 20' ' ' SER . 7.0 t -127.17 -132.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 2.4 tp10 -73.3 -77.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 4.2 m170 -101.84 47.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.524 ' OG ' ' CG2' ' A' ' 17' ' ' THR . 2.1 m -140.07 136.71 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.83 -177.67 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 14' ' ' VAL . 2.7 p -150.17 123.56 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -75.78 124.39 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 35' ' ' ILE . 69.5 t -124.56 121.74 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 17.1 tttt -91.3 98.73 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.478 ' CB ' HD12 ' A' ' 35' ' ' ILE . . . -118.42 -179.81 3.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -79.39 160.42 26.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 HG12 ' CB ' ' A' ' 8' ' ' GLU . 32.4 m -66.74 -12.5 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -130.07 32.62 4.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.467 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -84.14 154.47 23.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 pt -89.24 163.2 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.435 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . . . -56.93 -42.66 80.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.401 ' OE1' ' OE1' ' A' ' 47' ' ' GLU . 2.6 tp-100 -50.66 -43.42 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 2.0 mm-40 -56.47 -17.65 8.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.478 HD12 ' CB ' ' A' ' 26' ' ' ALA . 7.2 mm -100.16 -48.02 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 14.4 tp -56.05 -40.84 74.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.477 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -62.66 -28.87 70.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.477 ' CG2' ' HE3' ' A' ' 37' ' ' LYS . 12.9 t -85.62 -55.37 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 42' ' ' LYS . 48.5 t -51.83 -53.42 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' TYR . . . -38.91 -46.34 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.29 -40.48 70.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -64.49 -17.31 63.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CD1' HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -114.87 -4.66 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' ALA . 18.7 mt-30 62.36 64.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.487 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -146.61 -166.98 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -112.52 104.85 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.483 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 8.5 pt-20 -36.79 -46.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.97 -47.21 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 46' ' ' ALA . 58.4 m-20 -69.41 -9.78 55.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 43' ' ' ILE . 0.6 OUTLIER -103.53 179.57 4.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -167.68 143.47 3.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.454 ' CD1' HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -81.97 114.22 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 61' ' ' LYS . 18.9 t -99.71 129.62 50.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.67 131.46 54.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.667 ' CG1' ' CE1' ' A' ' 82' ' ' TYR . 6.2 mm -110.92 112.86 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -63.3 163.47 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' SER . 4.6 t80 -48.16 -63.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PHE . 66.7 m -39.36 -71.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.59 71.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -149.91 118.0 6.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.658 ' CB ' ' CD1' ' A' ' 55' ' ' ILE . 2.5 ptpp? -76.06 155.55 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -151.27 148.04 27.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.38 112.87 25.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -160.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -107.29 163.93 15.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -1.99 11.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.78 11.4 19.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.12 113.86 24.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 30' ' ' SER . 11.1 mt -42.77 148.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.4 HG22 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.81 -17.43 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.64 68.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.1 175.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.47 123.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.05 40.34 3.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.0 mp -140.6 -58.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -40.41 -67.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -146.7 -70.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 t 41.58 90.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.89 -55.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.41 121.94 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.45 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 15.8 mt -106.04 158.3 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.667 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 19.2 m-85 -144.11 174.88 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -129.64 125.37 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.485 ' CD2' ' C ' ' A' ' 93' ' ' ASN . 4.3 m-85 -112.82 173.94 6.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' HG3' ' CE1' ' A' ' 95' ' ' PHE . 20.6 mtp180 -107.02 139.16 41.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.345 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.402 ' HG2' ' CD2' ' A' ' 92' ' ' LEU . 61.6 mttt -97.57 116.92 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.6 -152.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' A' ' 88' ' ' LEU . 1.3 mp -85.62 -2.51 58.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.17 124.25 48.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.09 -33.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -61.18 160.39 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.436 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 11.9 mt -103.71 -45.11 4.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.485 ' C ' ' CD2' ' A' ' 84' ' ' TYR . 5.2 m-80 62.68 133.35 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.99 6.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.421 ' CE1' ' HG3' ' A' ' 85' ' ' ARG . 3.7 m-85 -89.85 -170.52 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 55.79 -175.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.06 -58.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -117.12 149.88 39.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.2 p -70.81 155.25 41.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.7 157.8 23.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.38 38.9 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.95 -64.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.2 m -90.49 165.45 13.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.15 -57.79 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p 43.26 79.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.53 103.56 0.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.434 1.084 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -118.1 174.51 6.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -129.68 163.84 25.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.37 79.83 0.24 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 111.057 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -173.45 64.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -90.12 132.5 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -158.29 170.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -120.64 151.29 39.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -118.12 98.47 6.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -73.84 110.42 8.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 83' ' ' VAL . 1.5 t -110.93 99.21 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.66 110.39 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mt -67.26 -57.19 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 8.6 p -117.63 -136.37 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' OG1' ' A' ' 17' ' ' THR . 3.6 tt0 -95.9 -31.78 12.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -126.23 32.74 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -139.25 137.7 36.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -160.21 177.02 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 42' ' ' LYS . 2.5 p -146.5 131.13 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.33 91.39 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -92.94 130.54 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -72.64 98.79 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.18 179.05 4.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -117.7 177.88 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.23 4.56 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -151.02 24.8 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -87.72 148.38 24.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 67' ' ' ASN . 21.9 pt -88.87 170.2 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.475 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . . . -66.55 -43.22 85.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -48.76 -38.87 23.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 2.0 mm-40 -61.08 -20.64 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.452 ' CG1' HG21 ' A' ' 70' ' ' VAL . 23.0 mm -98.81 -47.0 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 16.9 tp -55.43 -42.84 74.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.34 -31.99 70.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.5 ' CG1' ' CE ' ' A' ' 42' ' ' LYS . 15.2 t -82.94 -61.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.426 HG21 ' CG1' ' A' ' 22' ' ' VAL . 73.7 t -44.55 -52.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -42.27 -47.22 4.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -70.42 -43.33 70.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.5 ' CE ' ' CG1' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.32 -29.46 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.511 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.3 pt -105.65 -16.93 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ALA . 19.4 mt-30 76.05 55.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.511 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -131.34 -161.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.1 104.19 12.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.508 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.8 pt-20 -43.17 -44.5 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -58.69 -35.41 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' ALA . 4.3 m-20 -80.15 -7.41 58.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' CB ' HD12 ' A' ' 36' ' ' LEU . 86.5 mt -107.79 -179.6 3.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.444 ' HB3' ' CG ' ' A' ' 63' ' ' GLU . . . -171.26 141.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.49 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -83.05 124.34 30.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.594 HG23 ' CE1' ' A' ' 84' ' ' TYR . 1.5 m -125.93 127.22 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.82 136.63 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.596 HG13 ' CE1' ' A' ' 82' ' ' TYR . 2.6 mm -104.53 108.24 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.3 t -62.85 164.08 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -46.62 -65.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.58 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.0 67.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -144.38 113.05 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.756 . . . . 0.0 110.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.529 ' HB3' ' CD1' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -77.26 147.4 36.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.75 110.28 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.626 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' CG ' ' HB3' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -66.44 120.26 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.3 mm? -79.51 -119.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.694 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 9.4 mt-30 -158.5 169.78 10.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.694 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.03 7.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.512 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 3.5 t30 -126.21 -33.86 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.476 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -46.93 110.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -41.62 150.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.475 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -109.75 29.69 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.1 tt -168.58 69.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.16 123.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' CB ' ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER 170.64 150.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -67.49 -81.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mp -139.94 85.2 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -172.82 -61.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HB2' ' CB ' ' A' ' 73' ' ' LYS . . . -84.89 -29.33 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.3 p -65.1 87.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.29 -89.18 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -148.54 121.69 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 82' ' ' TYR . 18.6 mm -86.71 142.31 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.596 ' CE1' HG13 ' A' ' 55' ' ' ILE . 5.4 m-85 -120.64 177.35 5.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.461 HG13 ' CG1' ' A' ' 14' ' ' VAL . 7.1 p -147.37 122.59 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.594 ' CE1' HG23 ' A' ' 53' ' ' VAL . 3.4 m-85 -112.76 175.91 5.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.66 132.45 44.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' HG2' ' CD2' ' A' ' 92' ' ' LEU . 18.0 mtpt -96.15 110.92 23.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 163.89 -171.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.1 mt 61.12 -99.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 91' ' ' THR . . . -108.18 163.77 12.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -49.15 -23.41 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 89' ' ' ALA . 13.5 m -62.79 178.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.531 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 6.3 mt -117.65 -38.55 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.474 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 2.1 m-80 62.34 129.78 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo -74.94 55.13 3.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER 38.8 -159.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 48.09 88.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -93.74 133.19 37.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -57.32 158.78 5.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -105.54 166.2 10.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.024 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 146.42 156.91 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.14 4.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -74.53 105.08 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.51 162.65 37.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -110.76 146.83 35.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 0.733 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.12 108.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.18 153.92 16.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -172.61 165.38 5.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.19 149.84 40.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.89 -85.09 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 41.57 52.19 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.71 104.87 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -157.16 160.03 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.521 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -130.95 161.99 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.5 t -122.35 97.1 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.534 ' CD2' ' HB3' ' A' ' 23' ' ' SER . 9.0 m80 -84.43 109.99 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.481 ' CG2' HG11 ' A' ' 22' ' ' VAL . 2.4 m -108.18 128.13 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.482 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.5 m-30 -97.51 119.61 36.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' SER . 9.2 mt -72.17 -58.8 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.8 p -113.83 -138.23 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' A' ' 19' ' ' HIS . 4.6 pt-20 -89.53 -35.48 15.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.485 ' CE1' ' HG3' ' A' ' 18' ' ' GLU . 6.6 m170 -127.8 35.8 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.614 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -139.59 134.23 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.953 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.43 ' CB ' ' HA ' ' A' ' 15' ' ' TYR . 24.2 p90 -160.96 172.48 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.481 HG11 ' CG2' ' A' ' 14' ' ' VAL . 2.5 p -148.41 122.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.534 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 1.9 p -83.04 149.57 26.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.48 ' CG2' HG22 ' A' ' 35' ' ' ILE . 92.6 t -140.37 128.46 24.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.521 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 2.8 tptt -83.65 99.17 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' CB ' HD13 ' A' ' 35' ' ' ILE . . . -115.78 -179.8 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.6 175.56 8.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.417 ' HA ' ' CD1' ' A' ' 71' ' ' ILE . 15.9 m -75.64 -12.38 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.85 26.82 5.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.63 149.6 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 pt -89.59 165.49 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . . . -61.6 -42.98 99.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.57 -42.85 34.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.477 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 2.0 mm-40 -59.37 -15.42 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.489 HD13 ' CB ' ' A' ' 26' ' ' ALA . 5.6 mm -100.94 -53.94 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 19.2 tp -50.8 -41.74 57.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.88 -30.21 70.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.495 HG11 ' CE ' ' A' ' 42' ' ' LYS . 13.8 t -84.69 -50.52 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 42' ' ' LYS . 94.2 t -54.63 -51.92 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.7 -45.54 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.33 -39.77 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.495 ' CE ' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -63.85 -19.03 64.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.519 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -117.63 0.82 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ALA . 31.4 mt-30 54.89 64.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.519 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -143.21 -162.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -115.23 107.55 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.493 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 8.8 pt-20 -46.43 -41.6 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -60.23 -25.25 65.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ALA . 82.6 m-20 -93.22 -6.77 46.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 43' ' ' ILE . 77.4 mt -107.54 -179.59 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.423 ' N ' HD13 ' A' ' 36' ' ' LEU . . . -169.72 143.79 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -84.07 114.3 21.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.582 HG22 ' CE1' ' A' ' 84' ' ' TYR . 2.4 m -117.58 122.67 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.25 154.31 18.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.5 HG13 ' CD1' ' A' ' 82' ' ' TYR . 1.9 mt -124.1 156.14 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 57' ' ' PHE . 7.4 t -109.31 -174.0 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.442 ' N ' ' OG1' ' A' ' 56' ' ' THR . 18.7 t80 -67.61 -55.02 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -34.67 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.97 85.69 1.89 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -157.1 128.15 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -77.67 148.56 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.96 110.23 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.573 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.91 116.02 18.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.4 mm? -74.71 -123.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.718 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 16.3 mt-30 -159.03 170.41 8.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.718 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.01 8.49 2.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.71 -35.07 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.485 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -43.74 103.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tp -41.71 148.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 11.2 m -117.65 67.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.465 HD11 ' CD1' ' A' ' 10' ' ' ILE . 2.4 tt -168.1 -45.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -89.42 -34.91 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.93 150.56 46.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.443 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 3.3 m 62.21 72.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 74' ' ' SER . 3.3 mp -145.39 90.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.49 -54.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.46 90.65 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 39.91 59.31 1.95 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.9 159.84 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.149 . . . . 0.0 111.048 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.484 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -151.98 126.93 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.347 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.514 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 3.2 mp -100.93 151.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 9.2 m-85 -140.77 166.39 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 p -130.48 123.92 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.582 ' CE1' HG22 ' A' ' 53' ' ' VAL . 4.7 m-85 -115.26 174.51 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.17 138.53 37.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 24.8 mttt -86.47 115.39 23.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 86' ' ' LYS . 1.1 m-20 159.26 -171.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 10.8 mt 67.37 58.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 88' ' ' LEU . . . 82.7 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.98 -45.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.3 m -42.58 164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 110.403 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 7.7 mt -98.15 -54.82 2.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.29 136.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.15 36.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -62.26 -170.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 58.63 97.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -126.74 123.74 38.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 51.98 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.73 155.64 16.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.996 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.56 -118.66 1.97 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.79 26.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.9 p -144.8 162.69 36.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.4 p -179.37 152.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.87 -57.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.19 85.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.24 105.11 0.28 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -172.12 120.75 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.747 . . . . 0.0 109.966 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -160.53 100.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.8 -125.61 35.36 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.06 117.47 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -123.87 105.13 9.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.2 tt -155.38 160.07 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.4 m-85 -133.86 138.35 45.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -95.74 111.43 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 108.29 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -81.33 113.48 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.624 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' A' ' 39' ' ' VAL . 2.9 t -115.56 98.47 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -71.56 141.05 50.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.1 mt -101.22 -56.54 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.402 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 10.5 p -113.8 -138.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -89.62 -34.81 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -131.8 38.84 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.402 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 1.4 m -138.9 141.66 38.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -159.12 178.78 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.493 ' CG2' ' HG2' ' A' ' 42' ' ' LYS . 11.6 p -136.62 135.83 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.2 p -90.42 105.99 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG11 ' CG2' ' A' ' 35' ' ' ILE . 92.2 t -105.82 121.98 58.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -93.09 99.25 11.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' HB1' ' CD1' ' A' ' 35' ' ' ILE . . . -119.04 -179.5 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' N ' ' OG ' ' A' ' 30' ' ' SER . 13.6 mmtm -72.42 176.3 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.3 p -81.02 -15.43 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.4 t -132.12 32.8 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -80.96 155.43 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 pt -85.94 167.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' CB ' HD22 ' A' ' 52' ' ' LEU . . . -68.44 -44.98 73.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -43.42 -46.7 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 26.8 mt-10 -52.55 -44.02 65.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.486 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 6.5 mm -66.62 -40.48 86.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.493 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 1.7 mt -52.02 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 34' ' ' GLU . 3.9 pttt -42.51 -31.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.522 ' CG1' ' CE ' ' A' ' 42' ' ' LYS . 41.4 t -80.41 -63.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.47 ' O ' ' C ' ' A' ' 40' ' ' ALA . 84.5 t -52.41 -54.28 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.511 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . . . -35.51 -48.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.6 OUTLIER -74.08 -50.55 19.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.522 ' CE ' ' CG1' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -47.51 -25.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.505 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.2 pt -108.18 -23.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' ALA . 35.3 mt-30 80.73 56.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -137.15 -161.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.14 108.64 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.511 ' OE1' ' CB ' ' A' ' 40' ' ' ALA . 3.6 pm0 -46.78 -40.32 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' CG ' ' OD1' ' A' ' 49' ' ' ASP . 5.9 pt-20 -59.76 -24.37 64.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -99.07 -7.43 26.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.483 HD13 ' CD1' ' A' ' 43' ' ' ILE . 93.9 mt -106.29 -179.75 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.471 ' HB1' ' CG ' ' A' ' 63' ' ' GLU . . . -173.77 143.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.478 ' CD2' ' HG ' ' A' ' 36' ' ' LEU . 1.5 mm? -81.25 116.44 21.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' TYR . 2.3 t -110.86 109.85 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.14 131.72 51.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -123.82 156.28 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -107.98 174.88 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -65.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -59.28 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.79 85.69 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -137.14 117.66 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.529 ' HE2' ' CZ ' ' A' ' 84' ' ' TYR . 2.9 mmtp -74.06 138.57 44.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.19 110.18 3.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.471 ' CG ' ' HB1' ' A' ' 51' ' ' ALA . 1.9 tm-20 -87.81 -4.18 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.3 OUTLIER 38.0 -154.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -120.98 163.22 30.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.65 10.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.88 -2.08 13.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 153.01 40.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.9 mt -75.36 144.68 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.471 HG23 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -108.32 19.49 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 72' ' ' SER . 2.9 mp -125.2 -69.92 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 71' ' ' ILE . 24.5 p 38.53 58.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.19 102.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -162.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.78 52.79 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -161.67 72.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 57.12 177.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.1 t -125.77 144.58 50.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -92.93 -171.11 40.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.471 ' O ' ' CE2' ' A' ' 82' ' ' TYR . 1.5 mtm180 -128.25 110.79 12.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 82' ' ' TYR . 3.6 mp -77.88 148.06 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.471 ' CE2' ' O ' ' A' ' 80' ' ' ARG . 96.3 m-85 -135.69 174.66 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 p -134.74 130.79 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.587 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 9.8 m-85 -125.04 164.24 20.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 95' ' ' PHE . 4.9 mpp_? -93.49 142.6 27.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ASP . 1.6 mtpt -103.61 130.29 51.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 88' ' ' LEU . 16.9 p-10 -132.74 -143.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -92.35 34.99 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' ASP . . . -149.9 114.15 5.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' ALA . 14.9 t70 -40.02 -51.51 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -47.77 159.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.587 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 18.1 mt -118.81 139.17 52.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.427 ' N ' HD21 ' A' ' 93' ' ' ASN . 1.9 m-80 -107.89 147.63 35.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.79 28.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 1.5 m-85 -87.5 -175.51 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.55 -172.59 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 58.48 169.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -155.0 160.74 41.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.0 107.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.3 167.69 12.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 97.73 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.5 p -155.12 143.13 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.955 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.7 103.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -146.2 -56.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -114.9 165.61 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.06 141.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.87 -62.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -87.45 173.68 8.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.6 149.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' OE1' ' CD ' ' A' ' 27' ' ' LYS . 2.9 mp0 64.77 54.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -61.6 102.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.439 ' CD1' HG13 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -170.85 154.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.02 147.28 50.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.5 t -110.34 92.98 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 108.291 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -71.19 119.8 15.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.454 ' CG1' HG13 ' A' ' 39' ' ' VAL . 43.8 t -113.9 98.7 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.96 107.4 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.493 HD12 ' CG2' ' A' ' 22' ' ' VAL . 9.8 mt -66.16 -55.75 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.0 p -119.49 -140.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' N ' ' OG1' ' A' ' 17' ' ' THR . 2.7 tp10 -91.26 -32.17 15.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -126.57 33.98 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.603 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.37 137.78 36.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -159.46 173.72 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.493 ' CG2' HD12 ' A' ' 16' ' ' ILE . 2.9 t -142.69 133.89 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 96.57 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.441 HG11 ' CG2' ' A' ' 35' ' ' ILE . 94.7 t -93.83 119.78 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -88.55 98.24 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.475 ' CB ' HD12 ' A' ' 35' ' ' ILE . . . -112.81 -179.76 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' CD ' ' OE1' ' A' ' 8' ' ' GLU . 17.1 mmtm -80.2 173.13 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.8 m -76.76 -7.95 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.85 18.75 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.35 146.47 45.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 67' ' ' ASN . 14.1 pt -89.85 167.13 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.472 ' HB1' ' CD2' ' A' ' 52' ' ' LEU . . . -59.93 -44.02 94.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -48.63 -44.41 37.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.474 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 2.5 mm-40 -59.12 -15.36 13.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.475 HD12 ' CB ' ' A' ' 26' ' ' ALA . 3.8 mm -102.12 -52.59 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 14.2 tp -52.45 -40.32 62.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -63.61 -29.93 71.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.506 HG11 ' CE ' ' A' ' 42' ' ' LYS . 13.5 t -85.2 -54.3 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' LYS . 40.8 t -52.97 -53.67 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.39 -44.7 0.44 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -46.71 53.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.506 ' CE ' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.17 -21.24 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.505 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.7 pt -110.48 -20.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ALA . 22.8 mt-30 78.23 58.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -138.3 -162.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.67 107.41 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.489 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.8 pt-20 -47.61 -42.18 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.52 -20.97 63.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' ALA . 75.4 m-20 -97.79 -6.36 32.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 ' CB ' HD12 ' A' ' 36' ' ' LEU . 89.5 mt -108.1 179.84 4.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.431 ' HB3' ' CG ' ' A' ' 63' ' ' GLU . . . -169.39 143.09 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' CD2' ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -83.88 118.46 23.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.591 HG22 ' CE1' ' A' ' 84' ' ' TYR . 1.9 m -119.48 123.29 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.55 156.74 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 1.7 mt -125.89 156.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.2 t -113.69 169.57 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.9 83.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 169.26 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.99 67.41 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -140.12 112.22 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 3.6 mttt -73.23 147.35 44.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.84 110.04 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' CG ' ' HB3' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -79.02 118.12 20.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.4 mm? -76.91 -122.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.705 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 17.5 mt-30 -157.9 170.15 9.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.705 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.94 10.96 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.461 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.7 t30 -128.91 -36.71 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.486 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -41.13 116.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -50.86 144.29 8.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.424 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 12.1 m -113.3 50.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.439 HG13 ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -171.66 -44.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.8 t -116.81 140.85 48.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -161.39 79.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 70.49 -69.34 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.36 28.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.6 155.78 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.92 -66.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.16 164.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.82 -170.29 23.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -131.53 110.21 10.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 0.721 . . . . 0.0 110.32 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 82' ' ' TYR . 29.5 mm -88.03 148.27 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.457 ' N ' HG21 ' A' ' 81' ' ' ILE . 88.8 m-85 -133.6 177.22 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.419 HG12 ' CG1' ' A' ' 14' ' ' VAL . 2.4 p -144.68 129.09 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.603 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 5.8 m-85 -121.28 169.62 10.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -94.08 139.37 31.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 49' ' ' ASP . 1.3 mtpt -105.9 128.8 54.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -134.41 -148.94 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 1.5 mm? -71.19 -10.81 60.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.39 114.14 28.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -40.24 11.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 m -50.33 179.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.382 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.603 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 15.0 mt -132.56 137.48 47.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -120.16 137.92 26.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 130.15 13.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -45.72 -60.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.54 91.39 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -47.27 168.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -79.51 160.17 26.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.21 139.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 134.7 -117.1 1.71 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 158.13 42.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.0 t 64.15 143.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.3 t -152.2 111.88 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.4 -59.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.3 76.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.45 102.87 2.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.01 79.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.944 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -62.1 -74.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.71 -104.94 3.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -115.19 -7.61 12.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 7.1 pt-20 -91.82 113.54 25.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -135.39 179.29 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -134.63 135.45 42.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' VAL . 35.6 t -108.0 121.67 45.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.35 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.409 ' NE2' ' HB2' ' A' ' 23' ' ' SER . 59.3 m80 -108.21 121.01 43.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 1.1 m -112.37 122.91 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 80' ' ' ARG . 3.4 m-30 -90.57 116.48 28.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.431 HG23 ' CD2' ' A' ' 95' ' ' PHE . 1.7 mp -71.68 -55.1 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.4 p -117.91 -137.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.08 -40.31 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -123.72 33.01 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' ILE . 3.1 m -136.87 135.83 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.487 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 29.2 p90 -160.69 176.66 11.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.511 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 2.4 t -132.51 133.8 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.409 ' HB2' ' NE2' ' A' ' 13' ' ' HIS . 2.2 p -95.46 109.24 21.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' CYS . 51.8 t -107.79 144.73 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 11.6 tttt -111.09 98.78 7.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.494 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -124.05 -179.55 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -88.75 175.68 7.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -77.12 -14.51 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.0 t -113.27 7.36 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.464 ' CB ' ' HB2' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -72.75 128.36 35.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 pt -67.44 164.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.454 ' CB ' HD22 ' A' ' 52' ' ' LEU . . . -60.69 -43.41 97.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.7 OUTLIER -48.86 -40.23 28.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 2.5 mm-40 -59.55 -15.51 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.494 HD11 ' CB ' ' A' ' 26' ' ' ALA . 6.1 mm -101.76 -51.69 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 14.3 tp -53.72 -40.09 65.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -62.81 -30.23 71.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.498 HG11 ' CE ' ' A' ' 42' ' ' LYS . 13.7 t -83.29 -58.65 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.481 ' CG1' HG23 ' A' ' 14' ' ' VAL . 81.2 t -47.8 -55.08 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.28 -44.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -69.69 -44.78 69.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.511 ' HG2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -52.34 -29.18 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.515 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.2 pt -104.49 -18.64 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.7 mt-30 76.69 55.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.515 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -131.05 -162.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -111.43 101.39 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.475 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.2 pt-20 -42.64 -43.85 4.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.63 -35.02 71.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 46' ' ' ALA . 13.9 m-20 -79.91 -14.16 58.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.528 ' N ' ' CD1' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -102.88 -179.65 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.06 150.08 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -82.13 110.57 17.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 82' ' ' TYR . 16.4 t -102.93 109.9 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.64 117.63 33.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.2 mt -94.32 158.33 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.2 t -114.54 177.75 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.64 -55.66 32.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.18 -31.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.95 67.22 0.94 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -146.2 132.68 19.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.404 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -71.23 149.54 46.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.84 130.13 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.565 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.96 141.73 36.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.27 -159.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.29 162.98 19.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.2 Cg_endo -75.04 -5.33 16.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -110.45 -3.07 16.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.6 130.02 40.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tp -55.63 148.1 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.83 45.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -172.57 -171.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.89 126.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.59 144.95 50.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.4 m -57.64 -70.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.98 -51.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -49.29 127.31 14.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.93 73.41 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.43 153.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 149.17 179.62 25.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -167.76 133.83 2.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 0.744 . . . . 0.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.419 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.3 mp -91.95 153.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 12.4 m-85 -135.89 176.27 8.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.469 HG12 ' CG2' ' A' ' 14' ' ' VAL . 0.6 OUTLIER -139.89 113.1 5.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 6.2 m-85 -107.42 174.19 5.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 45' ' ' TYR . 30.8 mtm105 -105.11 138.43 41.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -89.08 120.0 30.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -167.06 130.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.3 mt 61.51 110.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 55.9 -164.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.82 44.89 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -99.3 174.63 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 55.2 mt -148.95 130.92 15.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.469 ' ND2' ' N ' ' A' ' 93' ' ' ASN . 0.4 OUTLIER -113.3 148.72 40.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.7 6.74 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.431 ' CD2' HG23 ' A' ' 16' ' ' ILE . 1.5 m-85 -41.74 159.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.82 -76.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.84 142.18 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t30 173.28 92.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -80.86 -58.28 3.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.66 -172.93 53.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.5 38.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.2 p -160.79 150.89 17.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.96 -60.05 1.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.045 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -76.1 156.41 33.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.777 . . . . 0.0 109.97 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -122.98 110.86 15.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.84 73.66 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p 179.69 144.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -72.53 79.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.82 120.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.12 54.72 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 10' ' ' ILE . 2.8 mt-10 -93.13 -80.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.42 ' O ' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER 56.24 164.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.533 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 12.9 m-85 -135.42 155.54 50.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -112.66 101.35 9.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 108.319 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -71.26 109.69 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.587 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.479 HG11 ' CG1' ' A' ' 22' ' ' VAL . 2.1 t -106.56 105.84 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.517 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 4.1 m-85 -85.43 117.39 24.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 mt -73.77 -60.42 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.409 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 71.7 p -112.84 -135.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.583 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 12.7 pt-20 -95.57 -34.26 12.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 90.8 m-70 -125.71 34.17 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.409 ' OG ' ' OG1' ' A' ' 17' ' ' THR . 1.5 m -139.84 141.12 36.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -159.05 -178.61 7.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.479 ' CG1' HG11 ' A' ' 14' ' ' VAL . 2.3 p -153.71 137.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 22' ' ' VAL . 5.5 p -88.74 131.42 35.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 39' ' ' VAL . 56.4 t -128.7 116.24 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -82.11 98.82 8.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -116.26 179.94 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -71.11 176.45 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.0 p -79.58 -5.07 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.2 m -144.57 34.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.966 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.92 157.21 31.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.049 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.8 pt -96.64 162.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 35' ' ' ILE . . . -58.73 -45.1 90.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -45.52 -48.69 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.256 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.503 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 40.6 mt-10 -57.83 -29.65 65.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.473 HD11 ' CB ' ' A' ' 26' ' ' ALA . 10.3 mm -83.64 -40.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 15.8 tp -56.61 -51.53 68.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.507 ' CB ' ' OE2' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -55.47 -31.61 62.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 34' ' ' GLU . 41.6 t -79.79 -65.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.474 HG23 ' CG2' ' A' ' 24' ' ' VAL . 97.7 t -45.6 -53.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -37.66 -44.25 0.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.02 -44.8 60.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.486 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -55.53 -21.77 18.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.523 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.3 pt -111.89 -16.3 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 40' ' ' ALA . 23.9 mt-30 73.46 58.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.523 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -138.17 -162.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.99 107.68 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.515 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.8 pt-20 -45.49 -44.48 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.89 -25.73 65.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ALA . 2.6 m-20 -90.38 -6.66 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 43' ' ' ILE . 62.6 mt -107.31 169.05 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -153.12 133.33 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -83.7 118.71 24.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 82' ' ' TYR . 5.7 m -133.31 133.26 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . . . -94.95 157.45 15.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.54 HG13 ' CD1' ' A' ' 82' ' ' TYR . 3.1 mt -127.8 157.1 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 t -109.33 166.91 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -48.66 -55.61 10.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.78 -65.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.66 72.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -146.15 130.61 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.283 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 3.3 mtmm -80.2 144.08 33.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.87 111.9 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' HG3' ' CG1' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -85.76 149.85 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.16 -154.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -108.16 163.1 17.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -2.91 13.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.99 -4.51 13.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.58 125.07 25.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.1 mt -53.72 142.13 24.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.401 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -108.14 19.02 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -150.49 109.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 p -179.6 166.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt 56.83 90.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 m -60.77 -66.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.54 65.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -158.54 47.46 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -155.03 -61.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.62 80.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 80' ' ' ARG . . . -171.49 -132.97 1.56 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 79' ' ' GLY . 3.8 mtt180 166.8 153.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 47.4 mm -85.9 145.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CD1' HG13 ' A' ' 55' ' ' ILE . 63.1 m-85 -140.74 138.85 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.446 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 8.0 p -104.82 153.93 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.705 ' CD1' ' O ' ' A' ' 93' ' ' ASN . 54.5 m-85 -155.44 175.97 13.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -91.47 124.1 35.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.17 134.46 52.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.7 OUTLIER 165.44 -69.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 89' ' ' ALA . 1.3 mt -51.64 90.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' ASP . . . 37.22 -153.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -64.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 88' ' ' LEU . 7.4 m -46.68 165.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.355 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -112.26 -170.48 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.705 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -164.66 155.01 12.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.59 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 124.48 8.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 8.6 m-85 -44.52 -83.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -85.52 -173.47 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -145.08 131.65 19.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.06 147.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.8 t -176.85 155.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.37 117.69 11.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 152.37 40.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.14 120.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.66 113.17 25.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -110.77 96.73 6.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.34 -59.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.18 77.13 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.49 -61.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.996 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -86.19 139.94 30.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.79 -154.0 0.45 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.22 23.48 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 56.64 95.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.464 HG12 ' CD1' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -150.72 180.0 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -134.94 148.09 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.8 t -113.25 115.54 28.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -90.57 121.85 32.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.418 ' CG1' HG12 ' A' ' 83' ' ' VAL . 23.0 t -120.07 98.62 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.4 m-85 -70.07 113.1 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.501 HD13 ' CG2' ' A' ' 22' ' ' VAL . 12.0 mt -72.42 -60.9 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.9 p -106.83 -135.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.79 -33.16 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -128.22 35.87 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 m -139.3 143.08 37.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -159.17 -178.58 7.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.543 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 4.1 t -142.64 141.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.0 p -100.54 91.21 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.6 t -90.79 123.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.5 98.91 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.446 ' CB ' HD12 ' A' ' 35' ' ' ILE . . . -117.84 -179.79 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -74.42 176.45 6.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.2 p -80.44 -7.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 t -139.72 31.45 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.43 160.06 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 pt -92.59 166.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.492 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . . . -60.78 -43.5 98.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.487 ' O ' ' CG ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -48.62 -43.31 36.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -58.07 -20.75 41.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.463 ' CG1' HG22 ' A' ' 70' ' ' VAL . 4.5 mm -101.12 -48.27 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 47' ' ' GLU . 13.0 tp -56.44 -39.48 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -62.49 -31.13 71.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.5 ' CG1' ' CE ' ' A' ' 42' ' ' LYS . 12.5 t -83.61 -56.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' ALA . 95.0 t -48.59 -54.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.39 -49.25 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -69.1 -44.6 72.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.543 ' HG2' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -51.93 -29.62 20.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.502 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.5 pt -104.17 -18.71 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ALA . 34.7 mt-30 78.61 55.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -132.41 -160.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -114.57 103.94 11.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 9.8 pt-20 -45.33 -42.91 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -60.12 -31.1 69.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 46' ' ' ALA . 44.8 m-20 -88.11 -3.88 58.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 80.9 mt -108.03 177.1 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HB2' ' CG ' ' A' ' 63' ' ' GLU . . . -168.49 144.88 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.492 ' CD2' ' HB2' ' A' ' 32' ' ' ALA . 1.5 mm? -83.13 119.11 24.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 61' ' ' LYS . 75.0 t -107.68 109.65 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.457 ' CB ' HD22 ' A' ' 64' ' ' LEU . . . -88.77 143.99 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 61' ' ' LYS . 4.1 mm -115.73 146.04 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -120.57 -178.59 3.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.433 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -44.9 166.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.24 -72.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.2 68.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -126.8 124.11 38.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.461 ' HA ' ' CD1' ' A' ' 55' ' ' ILE . 7.5 mttt -90.32 148.67 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -149.97 126.25 10.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.547 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 1.2 tt0 -89.08 115.52 26.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.5 mm? -75.36 -123.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.7 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 7.7 mt-30 -157.86 170.65 8.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.7 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.99 8.37 2.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.66 -34.32 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.457 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -50.47 125.34 12.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' A' ' 72' ' ' SER . 20.7 mt -50.25 152.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.463 HG22 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.9 -14.61 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -150.52 106.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.411 ' CB ' HD12 ' A' ' 69' ' ' LEU . 96.9 p 179.83 175.08 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.031 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.64 -173.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.75 46.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -117.88 24.72 10.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -124.28 -66.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 66.24 143.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.9 p 45.16 91.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.987 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.81 -166.43 14.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.102 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.89 141.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.41 HD11 ' N ' ' A' ' 81' ' ' ILE . 4.3 mp -110.33 158.66 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.468 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 96.2 m-85 -140.55 176.91 8.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.418 HG12 ' CG1' ' A' ' 14' ' ' VAL . 2.5 p -134.09 128.04 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.458 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 5.1 m-85 -116.56 170.06 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 4.4 ttm105 -97.18 120.71 38.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.08 163.54 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.53 -166.52 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.605 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -102.89 60.81 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -174.52 -156.54 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.76 26.73 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.69 161.4 19.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.458 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 7.5 mt -125.02 -50.85 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 64.86 133.88 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -178.48 4.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -102.77 178.28 4.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 53.75 173.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.56 -60.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.62 155.59 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.2 m -48.32 140.13 7.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 121.14 -145.61 17.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 157.86 42.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.2 p -135.67 -58.21 0.77 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 84.1 p -47.22 129.76 12.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.562 1.164 . . . . 0.0 110.973 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 m -155.14 -57.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.53 165.64 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.55 103.29 0.18 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -129.83 169.59 14.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.759 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.79 155.58 33.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.054 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.56 85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -134.3 -68.0 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 61.53 110.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tt -171.94 156.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -135.64 147.28 48.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.1 t -108.9 95.34 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.294 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.411 ' HB2' ' NH1' ' A' ' 80' ' ' ARG . 13.3 m80 -80.71 111.74 17.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' CG2' ' CG1' ' A' ' 22' ' ' VAL . 3.2 m -108.39 128.71 63.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.563 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.9 m-30 -95.67 115.06 26.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' SER . 2.7 mt -64.45 -56.54 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.418 ' OG1' ' OG ' ' A' ' 20' ' ' SER . 71.0 p -118.83 -134.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.2 -37.98 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.25 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -125.52 35.39 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.58 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' ILE . 1.5 m -139.77 137.03 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 24.4 p90 -160.63 171.27 19.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.5 ' CG1' ' CG2' ' A' ' 14' ' ' VAL . 2.5 p -144.5 122.97 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -76.23 147.42 38.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.436 ' CG1' HG21 ' A' ' 35' ' ' ILE . 38.1 t -139.25 127.36 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 tttt -91.31 98.46 11.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.478 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -120.94 178.94 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -80.49 171.08 15.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.96 -13.4 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.3 t -126.21 26.95 6.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.448 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -82.09 129.09 34.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 33' ' ' GLN . 8.5 pt -70.55 163.7 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.421 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . . . -57.74 -40.79 80.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.4 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 2.5 tp-100 -51.24 -44.19 61.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.469 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 50.2 mm-40 -60.59 -15.37 27.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.478 HD11 ' CB ' ' A' ' 26' ' ' ALA . 5.4 mm -97.12 -50.43 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 52' ' ' LEU . 21.3 tp -52.04 -45.65 64.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -58.53 -27.71 64.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.514 HG11 ' CE ' ' A' ' 42' ' ' LYS . 19.9 t -85.8 -48.56 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 42' ' ' LYS . 95.8 t -57.74 -51.98 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.77 -46.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -39.42 74.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.514 ' CE ' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -62.81 -20.26 64.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.556 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -120.23 5.77 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' ALA . 29.0 mt-30 50.07 62.73 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.556 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -135.84 -161.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -116.67 105.3 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 8.7 pt-20 -44.09 -47.26 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.1 -26.91 61.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 46' ' ' ALA . 49.9 m-20 -91.51 -4.53 55.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' CB ' HD12 ' A' ' 36' ' ' LEU . 81.1 mt -107.12 168.73 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -153.32 136.81 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.508 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -82.42 111.62 18.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 82' ' ' TYR . 59.5 t -115.56 131.84 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -105.21 156.5 18.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.572 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.4 mt -126.86 157.87 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -107.6 168.96 8.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -46.25 -58.3 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 63.4 m -44.42 -65.5 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.91 74.58 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -145.75 123.45 11.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 0.771 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 7.3 mtmt -70.87 141.7 51.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -139.16 112.13 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.83 132.7 35.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.55 -159.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -105.67 163.63 16.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.55 3.07 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -77.12 112.05 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.8 131.26 14.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 4.1 m -93.68 24.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 mm -131.25 -74.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -52.25 164.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.93 80.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.4 p -46.0 -62.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -167.91 53.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -124.66 -44.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 78' ' ' SER . . . 59.69 -173.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER 163.48 -70.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.38 -42.54 1.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 13' ' ' HIS . 1.2 mmp_? -157.84 138.64 13.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.416 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 42.7 mm -87.32 159.21 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.572 ' CD1' HG13 ' A' ' 55' ' ' ILE . 33.8 m-85 -141.03 142.8 34.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.455 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 3.4 p -110.68 152.63 12.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.69 ' CD1' ' O ' ' A' ' 93' ' ' ASN . 57.3 m-85 -154.35 177.54 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.577 ' HG2' ' CE1' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -99.0 117.94 34.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -59.07 128.38 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.23 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 93' ' ' ASN . 1.3 mt -68.98 84.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . 39.2 -155.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -56.84 -73.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.431 ' C ' ' CD2' ' A' ' 92' ' ' LEU . 8.1 m -41.61 163.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.537 ' CD1' ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -111.38 -171.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.69 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 14.3 m-80 -161.72 152.42 14.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.539 ' HA ' ' CE1' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -75.03 132.92 15.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.577 ' CE1' ' HG2' ' A' ' 85' ' ' ARG . 33.8 m-85 -53.43 177.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.32 130.46 50.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -55.24 166.92 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 58.45 159.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.22 124.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.66 160.64 14.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 99.56 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t 77.97 -59.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.71 95.79 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.056 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 71' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 7.8 m-85 -134.98 150.94 50.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' SG ' HG21 ' A' ' 35' ' ' ILE . 36.3 t -111.35 124.4 52.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.08 . . . . 0.0 108.287 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -88.18 119.92 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.543 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.626 HG11 HG11 ' A' ' 39' ' ' VAL . 2.4 t -121.62 106.63 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.481 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 m-85 -81.65 122.36 27.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.0 mt -82.13 -57.16 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.49 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 68.6 p -113.81 -139.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -36.37 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -130.06 37.65 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.622 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.49 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 3.8 m -139.2 145.31 39.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.97 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 0.8 OUTLIER -159.48 -178.51 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.996 HG11 HG13 ' A' ' 39' ' ' VAL . 2.8 p -143.38 123.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 p -78.11 119.61 21.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.518 HG11 HG23 ' A' ' 35' ' ' ILE . 74.0 t -118.99 130.11 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -97.35 99.59 11.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -123.17 179.08 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -73.57 176.04 6.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.236 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.19 -11.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.408 ' O ' HD11 ' A' ' 69' ' ' LEU . 33.1 t -134.8 32.87 3.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.4 138.84 33.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 67' ' ' ASN . 14.2 pt -67.7 164.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.845 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -60.64 -44.23 96.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.502 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -47.85 -42.84 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.727 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.1 mm-40 -56.8 -20.68 23.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.518 HG23 HG11 ' A' ' 24' ' ' VAL . 6.1 mm -97.28 -47.05 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.704 ' HB2' HD21 ' A' ' 52' ' ' LEU . 15.0 tp -55.31 -42.73 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.14 -29.87 70.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 34' ' ' GLU . 17.4 t -82.88 -56.97 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.996 HG13 HG11 ' A' ' 22' ' ' VAL . 65.6 t -52.21 -53.04 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -37.65 -47.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -43.32 64.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.709 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.92 -17.95 41.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.842 HD11 HD11 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -111.79 -15.73 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' ALA . 40.2 mt-30 73.92 59.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.506 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -143.38 -161.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -116.11 108.46 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.69 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.3 pt-20 -46.37 -41.83 14.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -60.7 -28.9 68.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -91.78 -4.53 54.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.842 HD11 HD11 ' A' ' 43' ' ' ILE . 89.6 mt -108.35 176.76 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -162.92 147.77 11.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.845 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.1 mm? -83.79 116.27 22.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.792 HG22 ' OE2' ' A' ' 63' ' ' GLU . 54.6 t -102.09 112.2 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.35 119.27 32.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.4 mt -115.28 154.89 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -107.5 177.13 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.84 -56.95 15.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.75 -44.64 3.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.05 77.85 0.83 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 55' ' ' ILE . 17.3 mt-10 -143.42 122.92 13.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.556 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 0.9 OUTLIER -71.6 142.77 49.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.75 142.12 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.574 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.792 ' OE2' HG22 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -119.33 147.6 44.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.36 -157.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -105.9 163.11 17.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.03 16.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.584 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.1 p30 -107.94 -4.53 17.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -73.98 138.69 44.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 69' ' ' LEU . 1.7 tp -59.3 156.12 13.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.476 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.68 -41.65 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 10' ' ' ILE . 4.2 tt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 52.1 mt -86.79 158.64 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 77.6 m-85 -138.18 177.53 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 3.1 p -136.63 127.7 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.765 ' CD1' HG21 ' A' ' 53' ' ' VAL . 5.8 m-85 -118.31 160.44 21.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -93.3 124.63 37.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -166.23 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 20.9 m-85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -130.97 143.37 50.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.494 ' SG ' HG21 ' A' ' 35' ' ' ILE . 42.4 t -107.71 102.91 12.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -73.7 118.83 17.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.563 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.625 HG11 HG11 ' A' ' 39' ' ' VAL . 2.3 t -119.21 102.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.517 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 m-85 -77.64 127.64 32.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.8 mt -87.67 -54.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.9 p -117.02 -139.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.517 ' HG3' ' CG ' ' A' ' 19' ' ' HIS . 10.5 pt-20 -85.54 -42.94 13.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.243 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.517 ' CG ' ' HG3' ' A' ' 18' ' ' GLU . 8.1 m-70 -125.77 35.38 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -134.26 143.64 47.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -159.38 -178.34 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.928 HG11 HG13 ' A' ' 39' ' ' VAL . 2.7 p -144.06 122.19 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -74.87 128.14 34.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.648 HG11 HG23 ' A' ' 35' ' ' ILE . 96.6 t -130.02 122.92 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -92.16 98.8 11.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.703 ' HB1' ' CB ' ' A' ' 30' ' ' SER . . . -112.39 -179.83 3.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -82.41 176.44 9.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.2 m -74.04 -19.22 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.49 ' HA ' HD11 ' A' ' 69' ' ' LEU . 27.3 t -121.39 16.04 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.703 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -62.09 144.14 55.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.596 HG21 ' ND2' ' A' ' 67' ' ' ASN . 10.3 pt -88.62 164.23 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 1.022 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -57.73 -40.2 79.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.512 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -53.93 -41.06 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.64 ' O ' HG23 ' A' ' 38' ' ' VAL . 36.6 mt-10 -59.2 -15.07 12.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.648 HG23 HG11 ' A' ' 24' ' ' VAL . 6.6 mm -103.44 -48.03 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.677 HD13 HD13 ' A' ' 52' ' ' LEU . 13.2 tp -57.6 -39.24 76.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HE2' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.32 -30.28 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.738 HG12 ' CE ' ' A' ' 42' ' ' LYS . 12.2 t -84.79 -52.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.928 HG13 HG11 ' A' ' 22' ' ' VAL . 62.9 t -54.94 -52.64 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -38.24 -46.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -42.46 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.738 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.99 -18.25 56.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -111.57 -13.74 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' ALA . 25.5 mt-30 71.89 60.39 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -144.0 -163.33 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -115.0 106.7 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.674 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -44.95 -41.15 7.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 4.2 pt-20 -60.77 -33.47 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 46' ' ' ALA . 67.4 m-20 -87.25 -4.83 59.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 43' ' ' ILE . 89.4 mt -107.56 -179.78 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.659 ' HB2' ' HD2' ' A' ' 86' ' ' LYS . . . -165.98 148.25 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.022 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -83.56 114.51 21.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.632 HG21 ' CD1' ' A' ' 84' ' ' TYR . 8.8 t -100.56 116.18 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -103.34 107.25 18.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 2.8 mt -86.23 158.14 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -106.99 167.79 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.85 -60.88 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.8 m -39.65 -67.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.04 72.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -151.18 129.44 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -72.11 150.95 43.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.97 118.84 6.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.13 149.67 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -130.15 -159.58 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.08 164.31 16.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -2.4 12.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.596 ' ND2' HG21 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -137.31 44.88 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 69' ' ' LEU . 26.8 t70 -96.04 -12.82 24.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD11 ' HA ' ' A' ' 29' ' ' SER . 0.1 OUTLIER 84.7 128.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.93 45.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 71' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 15' ' ' TYR . 5.7 mtm180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.558 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.0 mm -78.11 155.59 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 73.3 m-85 -138.83 177.18 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.76 134.13 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.632 ' CD1' HG21 ' A' ' 53' ' ' VAL . 11.0 m-85 -127.65 169.79 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 95' ' ' PHE . 50.3 mtm180 -96.77 137.31 36.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.659 ' HD2' ' HB2' ' A' ' 51' ' ' ALA . 13.5 mtpt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.55 41.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.442 1.759 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.541 ' CZ ' ' HG3' ' A' ' 85' ' ' ARG . 14.8 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.6 HD13 ' CD1' ' A' ' 71' ' ' ILE . 1.3 tt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -123.27 156.18 35.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.842 ' SG ' HG21 ' A' ' 35' ' ' ILE . 26.4 t -123.18 112.86 18.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 108.281 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -86.44 120.75 28.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.583 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.976 HG21 HG21 ' A' ' 39' ' ' VAL . 53.0 t -114.15 98.78 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -73.48 105.12 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.655 HD11 ' CG2' ' A' ' 22' ' ' VAL . 9.0 mt -63.09 -59.16 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.7 p -115.48 -139.24 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -94.53 -34.1 12.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -123.03 31.6 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 m -139.68 144.85 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -159.62 178.17 10.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.655 ' CG2' HD11 ' A' ' 16' ' ' ILE . 2.9 t -141.18 139.61 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p -96.02 95.65 8.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.789 HG11 HG23 ' A' ' 35' ' ' ILE . 96.5 t -97.23 148.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -98.92 98.84 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.751 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -100.02 179.81 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -116.51 177.41 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 p -73.34 -11.09 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -147.33 46.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.8 t -102.59 138.95 38.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.667 HD12 ' HB3' ' A' ' 33' ' ' GLN . 11.4 pt -74.97 162.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.997 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -60.82 -41.52 95.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.667 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -49.11 -43.73 41.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.69 ' O ' HG23 ' A' ' 38' ' ' VAL . 64.1 mm-40 -56.02 -19.6 13.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.842 HG21 ' SG ' ' A' ' 12' ' ' CYS . 10.7 mm -100.67 -47.7 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.695 HD21 ' O ' ' A' ' 47' ' ' GLU . 13.2 tp -56.41 -39.34 72.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.02 -31.2 72.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.712 HG12 ' CE ' ' A' ' 42' ' ' LYS . 12.4 t -82.75 -52.88 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.976 HG21 HG21 ' A' ' 14' ' ' VAL . 45.1 t -54.99 -52.43 43.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -38.51 -45.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.58 -43.24 63.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.712 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.6 -18.49 41.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -111.51 -16.89 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.0 mt-30 73.91 60.67 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.748 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -142.44 -162.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -114.52 104.6 12.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.695 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.6 pt-20 -44.52 -40.3 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.58 -35.86 77.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' ALA . 80.4 m-20 -87.33 -4.89 59.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' A' ' 45' ' ' TYR . 92.0 mt -107.94 -179.42 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -168.8 146.15 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.997 HD12 ' HB1' ' A' ' 32' ' ' ALA . 44.4 mt -83.34 112.68 20.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 62' ' ' HIS . 74.6 t -101.94 127.81 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -106.26 147.61 28.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 61' ' ' LYS . 16.2 mm -112.24 149.67 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -120.94 -178.42 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.62 162.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.93 -65.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.42 72.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -136.93 111.95 8.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.743 . . . . 0.0 110.271 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.749 ' HA ' HD13 ' A' ' 55' ' ' ILE . 1.4 ptpt -79.95 153.17 29.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.515 ' O ' HG13 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -138.34 156.34 47.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.56 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -118.04 115.04 24.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -95.32 -159.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -110.74 163.68 16.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.43 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.3 Cg_endo -74.94 -1.22 10.92 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.539 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -111.57 -8.72 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.02 128.74 37.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 69' ' ' LEU . 22.0 mt -56.93 146.17 27.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.71 34.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.6 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 mm -124.22 150.99 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.616 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 78.3 m-85 -123.47 177.2 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.588 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -140.21 131.4 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.495 ' CD1' HG21 ' A' ' 53' ' ' VAL . 9.0 m-85 -125.73 151.36 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.736 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -92.81 134.41 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.7 mttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 120.0 5.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 83' ' ' VAL . 18.3 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.707 HG21 HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.496 ' CZ ' ' HD2' ' A' ' 25' ' ' LYS . 2.1 m-85 -134.29 138.15 44.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.48 128.39 50.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.266 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -91.33 109.18 20.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.775 HG11 HG21 ' A' ' 39' ' ' VAL . 1.8 t -111.96 103.98 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.555 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 3.3 m-85 -78.15 144.51 36.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' ' 95' ' ' PHE . 23.4 mt -106.82 -56.7 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.2 p -111.35 -137.88 0.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' N ' ' OG1' ' A' ' 17' ' ' THR . 2.8 tt0 -91.84 -30.45 16.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -136.65 41.07 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.628 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -139.16 141.67 38.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -159.2 -178.19 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.578 HG11 HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -142.51 133.52 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 p -90.02 101.33 14.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.626 HG11 HG23 ' A' ' 35' ' ' ILE . 94.1 t -99.35 122.98 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 11' ' ' PHE . 3.3 tttt -92.33 98.78 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.541 ' HB1' ' CB ' ' A' ' 30' ' ' SER . . . -117.73 -179.78 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -75.15 176.51 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.7 p -80.7 -3.55 6.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -138.03 26.83 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.541 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -75.44 147.96 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 66' ' ' PRO . 10.9 pt -87.17 164.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 1.069 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -55.69 -41.9 74.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.8 tp-100 -54.03 -39.35 66.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' C ' HD13 ' A' ' 35' ' ' ILE . 2.2 mm-40 -63.08 -11.88 22.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.626 HG23 HG11 ' A' ' 24' ' ' VAL . 7.4 mm -107.65 -44.24 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.72 HD21 ' O ' ' A' ' 47' ' ' GLU . 13.4 tp -58.79 -39.76 82.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.641 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.48 -30.82 70.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.641 HG22 ' HE3' ' A' ' 37' ' ' LYS . 16.4 t -82.25 -57.61 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.775 HG21 HG11 ' A' ' 14' ' ' VAL . 93.5 t -47.71 -55.15 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.39 -42.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -43.3 62.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.625 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -56.64 -25.16 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 50' ' ' LEU . 1.4 pt -107.2 -17.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 40' ' ' ALA . 20.3 mt-30 74.95 59.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.512 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -137.49 -162.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.487 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -111.45 103.8 12.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.72 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.6 pt-20 -43.7 -40.91 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -60.18 -37.56 80.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.487 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 75.8 m-20 -80.23 -7.9 59.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.689 HD11 HD11 ' A' ' 43' ' ' ILE . 92.8 mt -107.83 176.01 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.56 141.44 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.069 HD12 ' HB1' ' A' ' 32' ' ' ALA . 43.2 mt -84.04 113.75 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 84' ' ' TYR . 1.7 m -115.99 133.04 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.817 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -108.77 139.09 44.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.7 mt -104.79 153.81 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 57' ' ' PHE . 7.8 t -116.08 -175.46 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.367 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' N ' ' OG1' ' A' ' 56' ' ' THR . 2.3 t80 -51.46 164.6 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m 69.14 -65.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' PHE . . . 145.34 86.52 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 20.3 mt-10 -145.98 118.56 8.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -70.66 152.46 43.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -149.99 110.28 4.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.559 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' CG ' HG12 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -87.36 131.64 34.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.935 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -108.05 -158.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -108.2 163.51 16.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.4 Cg_endo -74.98 -4.01 14.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.403 ' O ' HG22 ' A' ' 31' ' ' ILE . 2.3 m120 -112.67 0.04 15.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.15 141.72 52.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.0 mt -70.43 134.89 48.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.455 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -106.88 30.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.707 HD13 HG21 ' A' ' 10' ' ' ILE . 1.1 tt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.555 ' HG2' ' CE1' ' A' ' 15' ' ' TYR . 3.9 mpt_? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.817 HD13 ' HB2' ' A' ' 54' ' ' ALA . 25.0 mm -79.23 141.65 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.559 ' CD1' HG13 ' A' ' 55' ' ' ILE . 92.4 m-85 -122.98 177.27 5.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.58 127.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.615 ' CE1' HG21 ' A' ' 53' ' ' VAL . 5.7 m-85 -119.1 155.77 30.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 95' ' ' PHE . 28.3 mtp180 -88.42 132.01 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 131.28 14.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.496 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 25' ' ' LYS . 2.7 m-85 -132.32 149.31 52.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.929 ' SG ' HG21 ' A' ' 35' ' ' ILE . 11.0 t -108.86 100.25 9.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.83 112.82 15.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.604 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 40.4 t -109.87 98.63 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.618 ' CE2' ' NE ' ' A' ' 80' ' ' ARG . 3.3 m-85 -72.09 104.99 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.689 HD11 ' CG2' ' A' ' 22' ' ' VAL . 10.5 mt -63.41 -58.09 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 p -115.21 -138.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -33.87 13.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -124.76 32.56 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.622 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -139.61 143.44 37.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 9.8 p90 -159.72 178.68 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.689 ' CG2' HD11 ' A' ' 16' ' ' ILE . 2.3 t -145.36 127.31 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.436 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -90.96 97.64 11.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.498 ' HB ' HG23 ' A' ' 35' ' ' ILE . 79.9 t -97.09 122.11 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 11' ' ' PHE . 3.1 tppt? -85.65 98.96 10.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.564 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -116.05 179.83 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -76.25 176.37 8.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.25 -10.92 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.519 ' O ' HD11 ' A' ' 69' ' ' LEU . 34.8 t -133.16 30.52 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.16 147.18 30.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' A' ' 33' ' ' GLN . 13.8 pt -82.04 164.89 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 1.005 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -62.05 -42.32 99.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.531 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.1 tp-100 -48.77 -43.27 37.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.767 ' O ' HG23 ' A' ' 38' ' ' VAL . 23.5 mt-10 -57.34 -24.22 53.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.929 HG21 ' SG ' ' A' ' 12' ' ' CYS . 6.5 mm -93.66 -50.73 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.781 HD21 ' O ' ' A' ' 47' ' ' GLU . 18.3 tp -50.85 -44.04 59.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.466 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.44 -31.09 68.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 34' ' ' GLU . 20.8 t -79.63 -64.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 43' ' ' ILE . 96.3 t -44.77 -53.64 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.08 -43.1 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 1.1 mm-40 -72.73 -44.61 61.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.632 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.23 -25.42 23.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 50' ' ' LEU . 1.6 pt -107.7 -18.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 40' ' ' ALA . 37.3 mt-30 75.06 57.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.518 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -133.87 -161.53 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -112.81 102.24 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.781 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.6 pt-20 -41.2 -42.7 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -58.19 -41.32 83.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 46' ' ' ALA . 35.0 m-20 -76.41 -6.95 53.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 43' ' ' ILE . 97.0 mt -107.53 176.42 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -163.87 147.57 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.005 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -83.16 114.5 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' TYR . 4.1 t -101.23 119.16 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.72 108.48 20.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mt -91.11 157.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.8 t -118.7 174.71 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.426 ' N ' ' OG1' ' A' ' 56' ' ' THR . 7.8 t80 -68.42 59.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' THR . 44.3 t -175.0 34.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' SER . . . 37.51 51.55 1.83 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -124.18 112.31 16.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 84' ' ' TYR . 2.5 mtmp? -70.58 139.41 51.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.95 117.01 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.29 153.23 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -132.63 -159.6 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -106.5 163.07 17.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -74.99 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.29 1.08 15.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.3 128.08 32.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.519 HD11 ' O ' ' A' ' 29' ' ' SER . 1.9 tp -52.5 149.81 5.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.444 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -111.7 4.03 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.618 ' NE ' ' CE2' ' A' ' 15' ' ' TYR . 5.0 mtp180 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 81' ' ' ILE . 2.9 mp -94.63 148.27 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' VAL . 48.8 m-85 -135.33 177.07 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 3.5 p -137.28 126.93 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.475 ' CZ ' ' HD3' ' A' ' 61' ' ' LYS . 6.6 m-85 -121.75 156.22 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.483 ' HA ' HD23 ' A' ' 50' ' ' LEU . 1.5 tmt_? -85.21 115.84 23.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -164.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.662 HD13 ' CD1' ' A' ' 71' ' ' ILE . 1.3 tt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.533 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 5.9 m-85 -121.39 137.73 54.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.668 ' SG ' HG21 ' A' ' 35' ' ' ILE . 9.0 t -111.2 121.89 46.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -90.66 113.84 25.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.623 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.606 HG11 HG21 ' A' ' 39' ' ' VAL . 2.0 t -117.32 99.62 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.516 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.3 m-85 -74.68 125.91 29.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.1 mt -86.49 -56.06 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 6.1 p -116.74 -137.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.514 ' HG3' ' CG ' ' A' ' 19' ' ' HIS . 10.1 pt-20 -85.72 -43.17 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CG ' ' HG3' ' A' ' 18' ' ' GLU . 7.6 m-70 -127.19 42.8 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.574 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.51 139.84 37.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.0 p90 -159.37 -178.48 7.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 39' ' ' VAL . 1.4 p -142.73 129.41 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 p -87.77 103.5 15.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.965 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 35' ' ' ILE . 60.6 t -105.47 124.28 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HE2' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -80.6 99.21 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.859 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -107.03 171.98 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -88.14 175.83 7.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.0 p -72.76 -12.34 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 t -141.47 42.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -91.19 154.5 19.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.735 HD12 ' HB3' ' A' ' 33' ' ' GLN . 10.9 pt -88.6 165.16 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.812 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -63.04 -42.25 99.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.735 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -48.22 -42.55 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 38' ' ' VAL . 39.4 mt-10 -57.28 -16.7 9.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.859 HD11 ' HB2' ' A' ' 26' ' ' ALA . 7.9 mm -102.69 -50.03 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.723 HD21 ' O ' ' A' ' 47' ' ' GLU . 13.6 tp -55.44 -39.26 70.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -63.41 -31.66 72.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.94 HG12 ' HE3' ' A' ' 42' ' ' LYS . 12.1 t -83.65 -53.81 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.606 HG21 HG11 ' A' ' 14' ' ' VAL . 74.2 t -50.17 -55.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.76 -48.4 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -44.13 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.94 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.43 -23.61 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.4 pt -110.32 -18.58 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ALA . 17.6 mt-30 78.91 55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.5 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -133.8 -161.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.52 103.67 11.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.723 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.7 pt-20 -45.39 -38.98 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 9.0 pt-20 -61.66 -34.46 75.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.4 m-20 -84.43 -4.48 58.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.529 ' CB ' HD11 ' A' ' 36' ' ' LEU . 96.0 mt -108.18 -179.75 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -169.01 149.78 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.812 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.4 mm? -83.7 117.32 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.512 HG21 ' CD1' ' A' ' 84' ' ' TYR . 96.8 t -106.33 126.69 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . . . -107.32 140.08 40.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.585 ' CG1' ' CE1' ' A' ' 82' ' ' TYR . 10.2 mm -111.34 125.79 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.634 HG22 ' HG2' ' A' ' 60' ' ' GLU . 10.2 t -89.3 178.73 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 58' ' ' SER . 6.9 p90 -61.29 -40.88 95.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.577 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -55.99 -22.08 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.21 -22.42 33.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.634 ' HG2' HG22 ' A' ' 56' ' ' THR . 1.3 pt-20 -61.9 153.57 28.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.775 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.559 ' CB ' ' CD1' ' A' ' 55' ' ' ILE . 3.8 ptmt -108.3 160.36 15.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 2.1 t60 -143.71 140.4 29.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -103.98 102.43 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -74.79 -162.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -109.8 163.62 16.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.4 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -109.67 -6.77 15.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' ALA . 11.6 t70 -68.28 138.57 55.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.71 143.9 54.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.45 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.29 36.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.662 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.587 ' O ' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 9.0 mm -85.09 157.83 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 80' ' ' ARG . 75.4 m-85 -140.24 177.27 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 2.4 p -136.51 129.06 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.512 ' CD1' HG21 ' A' ' 53' ' ' VAL . 6.3 m-85 -119.16 159.57 23.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.49 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.17 149.23 21.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.5 mttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.413 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 1.6 m-20 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.45 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.02 55.15 3.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.418 HG12 HD13 ' A' ' 71' ' ' ILE . 1.3 tt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 17.3 m-85 -134.75 148.31 50.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.693 ' SG ' HG21 ' A' ' 35' ' ' ILE . 11.9 t -110.31 117.13 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -97.11 113.2 24.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.593 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 5.4 t -115.26 111.76 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.786 ' C ' HD13 ' A' ' 16' ' ' ILE . 5.1 m-85 -86.7 132.81 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.01 HD12 HG12 ' A' ' 83' ' ' VAL . 1.1 mm -93.46 -44.08 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.5 p -134.0 -139.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -89.78 -31.76 17.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -129.26 34.75 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -135.81 132.8 37.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.46 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.8 p90 -161.13 177.64 10.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.676 HG21 HG13 ' A' ' 39' ' ' VAL . 2.1 t -146.38 134.41 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.33 93.81 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.73 ' HB ' HG23 ' A' ' 35' ' ' ILE . 49.8 t -95.37 119.05 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 24.2 tttm -84.27 99.05 10.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.558 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -120.44 -179.46 3.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.95 176.82 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 p -83.52 -7.53 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.19 29.44 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -82.99 157.75 22.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.024 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 33' ' ' GLN . 12.1 pt -90.18 165.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 1.068 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -61.34 -43.9 98.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.648 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -47.34 -45.18 24.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 38' ' ' VAL . 41.6 mt-10 -56.0 -21.64 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.73 HG23 ' HB ' ' A' ' 24' ' ' VAL . 5.3 mm -99.74 -49.71 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.758 ' HB2' HD21 ' A' ' 52' ' ' LEU . 15.0 tp -55.31 -40.88 71.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -61.67 -31.98 72.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.707 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.7 t -81.93 -58.84 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.676 HG13 HG21 ' A' ' 22' ' ' VAL . 94.5 t -47.15 -54.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.68 -45.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.35 -44.94 70.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.707 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -52.53 -29.6 26.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.807 HD11 HD11 ' A' ' 50' ' ' LEU . 2.1 pt -103.19 -18.6 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.4 mt-30 77.28 55.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.504 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -133.57 -164.76 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.671 ' HB3' ' OD1' ' A' ' 49' ' ' ASP . . . -111.49 103.59 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.75 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.0 pt-20 -39.24 -35.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.58 -48.48 81.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.671 ' OD1' ' HB3' ' A' ' 46' ' ' ALA . 4.2 m-20 -72.7 -5.71 39.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.807 HD11 HD11 ' A' ' 43' ' ' ILE . 49.3 mt -107.51 175.4 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -168.83 148.69 4.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.068 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.3 mm? -83.38 114.88 21.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.649 HG21 ' CD1' ' A' ' 84' ' ' TYR . 22.4 t -104.14 110.0 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.531 ' HB2' HG12 ' A' ' 81' ' ' ILE . . . -100.83 112.18 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.522 HG23 ' C ' ' A' ' 60' ' ' GLU . 1.9 mt -97.44 152.95 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.1 t -114.39 178.85 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.369 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -43.68 166.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.93 -70.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 57' ' ' PHE . . . 149.04 87.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.522 ' C ' HG23 ' A' ' 55' ' ' ILE . 28.4 mt-10 -141.77 117.46 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 84' ' ' TYR . 10.6 mttp -70.17 147.74 49.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.03 110.63 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.43 147.38 23.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.53 -160.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -104.04 163.49 17.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.2 Cg_endo -75.05 -4.69 15.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.624 ' O ' HG22 ' A' ' 31' ' ' ILE . 7.4 t30 -111.0 -3.68 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -76.75 123.47 26.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ASP . 23.0 mt -40.41 152.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -100.79 -85.23 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.418 HD13 HG12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' O ' ' CE1' ' A' ' 82' ' ' TYR . 1.1 mpt_? . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.531 HG12 ' HB2' ' A' ' 54' ' ' ALA . 25.8 mt -91.29 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' VAL . 76.8 m-85 -142.85 177.71 8.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.01 HG12 HD12 ' A' ' 16' ' ' ILE . 8.5 p -130.41 135.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.649 ' CD1' HG21 ' A' ' 53' ' ' VAL . 8.4 m-85 -124.45 152.73 42.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.477 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -87.53 148.99 24.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 132.3 15.23 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.027 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.424 HD13 ' CG1' ' A' ' 71' ' ' ILE . 1.1 tt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -131.65 162.87 29.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -124.69 103.02 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.628 ' CE1' ' HB3' ' A' ' 23' ' ' SER . 21.3 m-70 -88.96 107.77 19.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.803 HG22 HG13 ' A' ' 22' ' ' VAL . 1.9 m -102.75 126.39 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.597 ' O ' ' CD2' ' A' ' 82' ' ' TYR . 3.4 m-30 -97.2 118.31 33.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 20' ' ' SER . 2.1 mt -71.29 -61.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.0 p -111.32 -136.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -90.66 -36.73 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -126.04 34.68 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -139.13 132.87 30.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.463 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 22.8 p90 -160.88 171.79 18.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.843 HG11 HG13 ' A' ' 39' ' ' VAL . 1.8 p -149.38 126.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.628 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 1.5 p -84.43 155.42 22.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.566 ' HB ' HG23 ' A' ' 35' ' ' ILE . 94.8 t -147.67 130.83 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -69.44 98.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.678 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -100.8 -179.63 4.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -112.21 176.59 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.14 -6.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -148.99 41.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 69' ' ' LEU . 35.4 t -97.22 153.93 17.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.604 HD12 ' HB3' ' A' ' 33' ' ' GLN . 16.1 pt -90.38 166.89 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.809 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -66.79 -40.18 88.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.604 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.4 tp60 -49.9 -40.41 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.649 ' O ' HG23 ' A' ' 38' ' ' VAL . 59.1 mt-10 -62.0 -12.56 19.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.678 HD11 ' HB2' ' A' ' 26' ' ' ALA . 32.1 mm -102.29 -47.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.761 HD21 ' O ' ' A' ' 47' ' ' GLU . 15.2 tp -56.69 -42.74 79.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HE2' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -61.35 -30.24 70.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.693 HG12 ' CE ' ' A' ' 42' ' ' LYS . 19.3 t -83.25 -50.54 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.843 HG13 HG11 ' A' ' 22' ' ' VAL . 96.2 t -55.93 -52.84 44.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.31 -41.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -41.66 61.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.693 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.57 -31.55 69.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.705 HD11 HD11 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -102.04 -11.88 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ALA . 20.3 mt-30 66.36 62.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.527 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -138.66 -159.77 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.53 103.1 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.761 ' O ' HD21 ' A' ' 36' ' ' LEU . 11.1 pt-20 -44.14 -43.25 6.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -60.16 -31.82 70.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' ALA . 82.8 m-20 -86.5 -6.35 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.705 HD11 HD11 ' A' ' 43' ' ' ILE . 71.7 mt -106.99 -179.72 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -166.46 147.06 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.977 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -83.43 119.18 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.888 HG21 ' CD1' ' A' ' 84' ' ' TYR . 4.2 t -102.73 154.15 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.592 ' HB2' HD21 ' A' ' 64' ' ' LEU . . . -130.33 125.34 34.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.77 HD13 ' CB ' ' A' ' 61' ' ' LYS . 3.3 mm -97.11 138.53 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' SER . 8.1 t -93.83 166.79 12.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -66.31 69.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' THR . 8.4 m -177.84 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 55' ' ' ILE . . . 138.77 -37.14 1.82 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -47.72 137.37 9.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.77 ' CB ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -107.38 156.27 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.453 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 11.3 t60 -140.27 153.68 46.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.585 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -108.42 115.7 30.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.977 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -89.2 -160.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -109.81 163.51 16.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -1.86 11.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.594 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -112.41 -6.01 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.99 124.05 19.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 30' ' ' SER . 12.6 mt -60.94 131.15 49.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.428 HG21 ' CG1' ' A' ' 35' ' ' ILE . 1.1 m -104.41 73.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.424 ' CG1' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 18.5 mm -99.16 150.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 8.9 m-85 -135.12 175.87 9.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 p -140.94 123.23 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.888 ' CD1' HG21 ' A' ' 53' ' ' VAL . 22.0 m-85 -118.21 166.2 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.4 OUTLIER -97.97 148.49 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.09 30.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 21.5 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 26' ' ' ALA . 7.0 tt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -128.58 163.28 25.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 t -126.18 106.12 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 108.31 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -84.21 117.84 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.461 HG11 HG11 ' A' ' 39' ' ' VAL . 55.7 t -116.7 99.65 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.449 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.5 m-85 -76.34 133.07 40.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.686 ' CD1' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -93.2 -62.66 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.5 p -104.77 -134.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -98.53 -24.39 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -136.4 39.31 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -139.86 136.56 34.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -160.24 173.51 15.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.535 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 4.9 t -133.54 139.17 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.4 p -101.21 87.29 3.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.579 HG11 HG23 ' A' ' 35' ' ' ILE . 71.8 t -92.97 141.13 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -95.2 98.7 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 1.025 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -102.98 162.02 13.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -77.23 176.34 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.87 -10.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m -144.58 41.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.408 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -87.89 149.94 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.659 HD12 ' HB3' ' A' ' 33' ' ' GLN . 14.1 pt -88.88 163.9 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 1.014 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -64.73 -40.21 94.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.659 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.8 tp-100 -48.56 -43.86 36.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.749 ' O ' HG23 ' A' ' 38' ' ' VAL . 39.0 mt-10 -56.66 -35.4 68.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 1.025 HD11 ' HB2' ' A' ' 26' ' ' ALA . 8.9 mm -85.46 -39.08 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.821 ' HB2' HD21 ' A' ' 52' ' ' LEU . 17.3 tp -56.83 -46.91 81.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' CB ' ' OE2' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -57.91 -31.48 66.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.9 t -80.21 -65.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.461 HG11 HG11 ' A' ' 14' ' ' VAL . 83.7 t -44.19 -52.86 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.24 -44.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -71.94 -45.19 62.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.538 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.41 -28.16 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.54 HD11 HD11 ' A' ' 50' ' ' LEU . 1.4 pt -104.52 -18.98 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' ALA . 26.6 mt-30 75.94 58.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.516 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -136.23 -160.72 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.83 104.07 11.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.709 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.2 pt-20 -44.93 -41.9 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -59.34 -33.56 71.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' ALA . 1.3 m-20 -87.71 -3.66 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.692 HD23 ' HA ' ' A' ' 85' ' ' ARG . 77.6 mt -107.34 -179.8 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -173.83 141.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.014 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.6 mm? -83.59 117.1 22.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.678 HG12 ' HG3' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -114.36 127.73 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' HIS . . . -97.49 154.55 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.49 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.4 mt -133.1 154.39 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 t -100.51 171.86 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' SER . 17.0 t80 -54.01 -60.16 3.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -39.21 -62.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.31 72.25 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 55' ' ' ILE . 38.1 mt-10 -141.06 125.36 17.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -71.88 148.69 45.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -151.03 115.52 5.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.571 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.678 ' HG3' HG12 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -91.23 154.62 19.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.898 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -130.83 -156.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -112.43 163.15 18.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.49 14.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.596 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -109.89 -2.22 17.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' ILE . 7.3 t70 -70.45 154.71 41.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.77 141.23 37.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -109.01 36.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.529 HD12 ' N ' ' A' ' 81' ' ' ILE . 4.2 mp -107.43 157.95 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 41.0 m-85 -148.42 176.19 10.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 1.9 p -131.84 130.57 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -118.45 154.44 32.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.692 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -94.88 133.53 38.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 111.85 3.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -126.73 142.35 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.791 ' SG ' HG21 ' A' ' 35' ' ' ILE . 21.5 t -112.02 86.65 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -72.27 124.42 25.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.748 HG11 HG21 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -115.84 111.86 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -82.35 112.63 19.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.158 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.507 HD11 ' CG2' ' A' ' 22' ' ' VAL . 9.5 mt -71.72 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.439 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 82.2 p -108.93 -137.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.25 -37.1 12.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -124.06 32.66 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.549 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.439 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 1.7 m -139.4 137.89 36.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.565 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 15.4 p90 -160.43 175.63 12.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.582 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 2.7 t -138.26 128.42 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -92.3 109.01 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.639 ' HB ' HG23 ' A' ' 35' ' ' ILE . 91.7 t -106.32 108.92 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.59 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -77.41 98.2 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.551 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -115.47 -179.87 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -75.96 176.38 7.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.596 HG23 ' CD1' ' A' ' 71' ' ' ILE . 9.9 p -82.97 -3.51 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -132.64 24.05 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.055 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -82.8 141.76 32.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.496 HD12 ' HB3' ' A' ' 33' ' ' GLN . 12.8 pt -82.69 163.9 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.93 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -58.41 -42.75 87.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.4 tp-100 -50.09 -42.15 49.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.6 mm-40 -62.36 -12.72 22.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.817 HG13 HG21 ' A' ' 70' ' ' VAL . 11.0 mm -102.46 -53.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.753 HD21 ' O ' ' A' ' 47' ' ' GLU . 15.1 tp -49.12 -40.48 32.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.65 -30.74 70.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.703 HG12 ' HE2' ' A' ' 42' ' ' LYS . 13.2 t -80.51 -62.04 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.748 HG21 HG11 ' A' ' 14' ' ' VAL . 88.1 t -45.48 -55.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -38.84 -43.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.25 -44.85 62.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.703 ' HE2' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.28 -29.58 33.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.519 HD11 HD11 ' A' ' 50' ' ' LEU . 1.7 pt -103.92 -18.63 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 40' ' ' ALA . 39.5 mt-30 75.13 57.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.519 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -131.38 -160.52 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.511 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -112.96 99.16 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.753 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.5 pt-20 -41.42 -42.66 2.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.38 -40.02 81.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.511 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 78.5 m-20 -79.43 -5.2 54.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CB ' HD11 ' A' ' 36' ' ' LEU . 44.0 mt -106.49 -179.16 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -168.04 148.43 4.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.93 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -83.42 120.94 26.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.777 HG21 ' CD1' ' A' ' 84' ' ' TYR . 22.1 t -107.57 146.65 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.89 132.25 56.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.613 HD13 ' CA ' ' A' ' 61' ' ' LYS . 1.2 mm -120.16 102.19 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.589 HG22 ' HB2' ' A' ' 60' ' ' GLU . 8.9 t -62.61 155.95 24.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.676 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 42.8 p90 -57.19 98.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 57' ' ' PHE . 0.9 OUTLIER 154.86 -68.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 154.05 66.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.589 ' HB2' HG22 ' A' ' 56' ' ' THR . 21.5 mt-10 -145.15 103.88 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.613 ' CA ' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -81.1 146.54 30.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 13.3 t60 -144.42 158.32 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.05 130.69 55.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -109.09 -157.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -110.22 162.77 19.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.402 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -74.98 -4.87 16.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -113.59 21.95 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.99 126.5 35.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' VAL . 4.2 mm? -63.95 91.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.817 HG21 HG13 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -38.24 -44.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.596 ' CD1' HG23 ' A' ' 28' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 40.4 mm -80.72 147.0 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.541 ' CE1' HG13 ' A' ' 55' ' ' ILE . 8.1 m-85 -123.81 174.93 7.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 3.5 p -141.47 120.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.777 ' CD1' HG21 ' A' ' 53' ' ' VAL . 5.7 m-85 -111.86 162.59 15.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.516 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -109.06 124.42 50.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.61 41.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 8.3 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.463 HD13 HD11 ' A' ' 71' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -124.61 157.78 34.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.86 ' SG ' HG21 ' A' ' 35' ' ' ILE . 15.3 t -120.15 104.03 9.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 108.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -77.7 107.48 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.581 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.587 HG11 HG21 ' A' ' 39' ' ' VAL . 2.2 t -113.64 108.22 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 3.6 m-85 -83.28 129.21 34.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.6 mt -87.92 -56.42 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.0 p -114.27 -138.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 17' ' ' THR . 3.1 tp10 -90.86 -32.03 16.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -132.54 38.64 3.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.549 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.53 140.36 37.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.04 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.428 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.3 p90 -158.61 -178.79 7.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.805 HG11 HG22 ' A' ' 39' ' ' VAL . 2.4 p -142.18 130.76 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.9 p -91.87 92.63 8.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 22' ' ' VAL . 57.9 t -97.7 135.33 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -79.0 98.84 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.548 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -99.22 179.46 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.66 176.54 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.572 ' HA ' HD13 ' A' ' 71' ' ' ILE . 2.2 p -73.68 -11.72 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.884 ' HA ' HD21 ' A' ' 69' ' ' LEU . 26.8 t -145.36 44.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.5 t -97.8 147.88 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.916 HG22 ' O ' ' A' ' 67' ' ' ASN . 17.3 pt -85.31 166.52 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 1.005 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -65.0 -43.27 93.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.501 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -46.78 -43.66 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.7 mm-40 -56.83 -25.24 55.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.86 HG21 ' SG ' ' A' ' 12' ' ' CYS . 13.9 mm -97.61 -48.87 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.732 HD21 ' O ' ' A' ' 47' ' ' GLU . 16.2 tp -54.76 -41.43 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -60.91 -32.95 72.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 34' ' ' GLU . 15.1 t -80.38 -61.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.805 HG22 HG11 ' A' ' 22' ' ' VAL . 69.9 t -43.42 -54.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.37 -43.99 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.92 -43.23 62.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.695 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -55.9 -23.02 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.515 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.6 pt -110.89 -17.6 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.1 mt-30 74.74 58.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.515 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -134.2 -160.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.17 101.3 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.732 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.3 pt-20 -43.03 -41.19 3.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.95 -39.18 84.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -80.25 -3.93 51.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' ' 85' ' ' ARG . 75.7 mt -107.2 -179.83 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -174.64 139.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.005 HD12 ' HB1' ' A' ' 32' ' ' ALA . 96.4 mt -82.66 113.89 20.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.559 HG12 ' HG3' ' A' ' 63' ' ' GLU . 1.1 m -113.24 114.68 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.766 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . . . -89.73 148.16 23.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.2 mt -127.79 155.41 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.659 HG22 ' HG2' ' A' ' 60' ' ' GLU . 7.0 t -109.49 -173.95 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' A' ' 58' ' ' SER . 13.7 p90 -70.06 -45.42 67.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.587 ' N ' ' CG ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -49.69 -32.32 13.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.985 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.8 66.51 0.9 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.057 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.659 ' HG2' HG22 ' A' ' 56' ' ' THR . 6.2 pt-20 -138.4 132.12 30.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -78.56 147.51 33.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.83 111.01 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.61 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.559 ' HG3' HG12 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -90.35 124.72 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 64' ' ' LEU . 2.0 mm? -85.84 -125.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.742 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 11.9 mt-30 -156.76 171.44 7.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.742 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.96 11.39 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.916 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -127.6 -37.78 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -44.29 123.6 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.884 HD21 ' HA ' ' A' ' 29' ' ' SER . 1.5 tp -53.36 146.98 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.554 HG11 HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -109.13 40.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.572 HD13 ' HA ' ' A' ' 28' ' ' VAL . 1.4 tt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.573 ' HG2' ' CE1' ' A' ' 15' ' ' TYR . 2.9 mpt_? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.766 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 32.3 mm -76.05 138.86 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 15' ' ' TYR . 68.1 m-85 -121.83 161.81 22.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 2.0 p -128.31 132.81 67.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -120.01 152.99 36.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.589 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -96.28 122.69 39.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 131.42 14.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.417 HG21 ' HA ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 6.8 m-85 -125.86 137.35 53.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -98.53 111.99 24.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 108.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -78.75 111.51 14.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.592 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.601 HG11 HG11 ' A' ' 39' ' ' VAL . 2.3 t -108.52 99.12 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -79.77 113.12 17.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.4 mt -66.77 -59.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.745 HG22 ' HB2' ' A' ' 20' ' ' SER . 7.0 t -127.17 -132.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.585 ' N ' HG23 ' A' ' 17' ' ' THR . 2.4 tp10 -73.3 -77.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 4.2 m170 -101.84 47.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.745 ' HB2' HG22 ' A' ' 17' ' ' THR . 2.1 m -140.07 136.71 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.83 -177.67 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.95 HG11 HG13 ' A' ' 39' ' ' VAL . 2.7 p -150.17 123.56 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -75.78 124.39 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.687 HG11 HG23 ' A' ' 35' ' ' ILE . 69.5 t -124.56 121.74 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 17.1 tttt -91.3 98.73 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.516 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -118.42 -179.81 3.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' O ' HD13 ' A' ' 71' ' ' ILE . 20.9 mmtt -79.39 160.42 26.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.417 ' HA ' HG21 ' A' ' 10' ' ' ILE . 32.4 m -66.74 -12.5 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -130.07 32.62 4.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -84.14 154.47 23.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 33' ' ' GLN . 10.8 pt -89.24 163.2 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.919 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -56.93 -42.66 80.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.6 tp-100 -50.66 -43.42 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.68 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.0 mm-40 -56.47 -17.65 8.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.687 HG23 HG11 ' A' ' 24' ' ' VAL . 7.2 mm -100.16 -48.02 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.792 HD21 ' O ' ' A' ' 47' ' ' GLU . 14.4 tp -56.05 -40.84 74.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.478 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -62.66 -28.87 70.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 34' ' ' GLU . 12.9 t -85.62 -55.37 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.95 HG13 HG11 ' A' ' 22' ' ' VAL . 48.5 t -51.83 -53.42 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' TYR . . . -38.91 -46.34 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.29 -40.48 70.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.676 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -64.49 -17.31 63.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.928 HD11 HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -114.87 -4.66 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' ALA . 18.7 mt-30 62.36 64.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.487 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -146.61 -166.98 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.589 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -112.52 104.85 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.792 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.5 pt-20 -36.79 -46.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.97 -47.21 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.589 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 58.4 m-20 -69.41 -9.78 55.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.928 HD21 HD11 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -103.53 179.57 4.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HB2' ' HE3' ' A' ' 86' ' ' LYS . . . -167.68 143.47 3.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.919 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -81.97 114.22 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' A' ' 84' ' ' TYR . 18.9 t -99.71 129.62 50.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.67 131.46 54.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.863 HD13 ' HA ' ' A' ' 61' ' ' LYS . 6.2 mm -110.92 112.86 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -63.3 163.47 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' SER . 4.6 t80 -48.16 -63.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PHE . 66.7 m -39.36 -71.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.59 71.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -149.91 118.0 6.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.863 ' HA ' HD13 ' A' ' 55' ' ' ILE . 2.5 ptpp? -76.06 155.55 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -151.27 148.04 27.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.38 112.87 25.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.709 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -92.22 -160.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -107.29 163.93 15.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.3 Cg_endo -74.95 -1.99 11.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.78 11.4 19.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.12 113.86 24.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 30' ' ' SER . 11.1 mt -42.77 148.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.406 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.81 -17.43 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.468 HD13 ' O ' ' A' ' 27' ' ' LYS . 4.2 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.45 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 15.8 mt -106.04 158.3 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.667 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 19.2 m-85 -144.11 174.88 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -129.64 125.37 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.485 ' CD2' ' C ' ' A' ' 93' ' ' ASN . 4.3 m-85 -112.82 173.94 6.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.421 ' HG3' ' CE1' ' A' ' 95' ' ' PHE . 20.6 mtp180 -107.02 139.16 41.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.345 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.511 ' HE3' ' HB2' ' A' ' 51' ' ' ALA . 61.6 mttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.485 ' C ' ' CD2' ' A' ' 84' ' ' TYR . 5.2 m-80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.99 6.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.421 ' CE1' ' HG3' ' A' ' 85' ' ' ARG . 3.7 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.654 HD13 HD11 ' A' ' 71' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -120.64 151.29 39.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.594 ' SG ' HG21 ' A' ' 35' ' ' ILE . 43.3 t -118.12 98.47 6.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -73.84 110.42 8.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.644 HG11 HG11 ' A' ' 39' ' ' VAL . 1.5 t -110.93 99.21 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.66 110.39 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mt -67.26 -57.19 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 8.6 p -117.63 -136.37 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' OG1' ' A' ' 17' ' ' THR . 3.6 tt0 -95.9 -31.78 12.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -126.23 32.74 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -139.25 137.7 36.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 5.3 p90 -160.21 177.02 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.549 HG11 HG13 ' A' ' 39' ' ' VAL . 2.5 p -146.5 131.13 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.33 91.39 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.472 ' HB ' HG23 ' A' ' 35' ' ' ILE . 99.5 t -92.94 130.54 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -72.64 98.79 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.613 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -101.18 179.05 4.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.482 ' O ' HG21 ' A' ' 71' ' ' ILE . 3.8 mmtp -117.7 177.88 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.23 4.56 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.519 ' HA ' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -151.02 24.8 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -87.72 148.38 24.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.884 HG22 ' O ' ' A' ' 67' ' ' ASN . 21.9 pt -88.87 170.2 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 1.114 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -66.55 -43.22 85.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 1.9 tp-100 -48.76 -38.87 23.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.0 mm-40 -61.08 -20.64 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 26' ' ' ALA . 23.0 mm -98.81 -47.0 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.845 ' HB2' HD21 ' A' ' 52' ' ' LEU . 16.9 tp -55.43 -42.84 74.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.456 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.34 -31.99 70.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.976 HG12 ' HE3' ' A' ' 42' ' ' LYS . 15.2 t -82.94 -61.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.644 HG11 HG11 ' A' ' 14' ' ' VAL . 73.7 t -44.55 -52.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -42.27 -47.22 4.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -70.42 -43.33 70.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.976 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.32 -29.46 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.51 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.3 pt -105.65 -16.93 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ALA . 19.4 mt-30 76.05 55.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.51 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -131.34 -161.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.1 104.19 12.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.808 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -43.17 -44.5 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -58.69 -35.41 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' ALA . 4.3 m-20 -80.15 -7.41 58.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.685 ' CB ' HD11 ' A' ' 36' ' ' LEU . 86.5 mt -107.79 -179.6 3.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HB1' ' CG ' ' A' ' 63' ' ' GLU . . . -171.26 141.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.114 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -83.05 124.34 30.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.667 HG21 ' CE1' ' A' ' 84' ' ' TYR . 1.5 m -125.93 127.22 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.82 136.63 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.685 HD13 ' CB ' ' A' ' 61' ' ' LYS . 2.6 mm -104.53 108.24 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 60' ' ' GLU . 10.3 t -62.85 164.08 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -46.62 -65.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.58 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.0 67.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' H ' HG22 ' A' ' 56' ' ' THR . 37.6 mt-10 -144.38 113.05 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.756 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.685 ' CB ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -77.26 147.4 36.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -143.75 110.28 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.626 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.569 ' CG ' ' HB1' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -66.44 120.26 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.3 mm? -79.51 -119.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.693 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 9.4 mt-30 -158.5 169.78 10.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.693 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.03 7.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.884 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.5 t30 -126.21 -33.86 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -46.93 110.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' A' ' 29' ' ' SER . 1.8 tp -41.62 150.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -109.75 29.69 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.654 HD11 HD13 ' A' ' 10' ' ' ILE . 10.1 tt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mm -86.71 142.31 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.596 ' CE1' HG13 ' A' ' 55' ' ' ILE . 5.4 m-85 -120.64 177.35 5.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 7.1 p -147.37 122.59 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.667 ' CE1' HG21 ' A' ' 53' ' ' VAL . 3.4 m-85 -112.76 175.91 5.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.66 132.45 44.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.474 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 2.1 m-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo -74.94 55.13 3.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.755 HG21 HD12 ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.522 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -130.95 161.99 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.792 ' SG ' HG21 ' A' ' 35' ' ' ILE . 5.5 t -122.35 97.1 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.61 ' CE1' ' HB3' ' A' ' 23' ' ' SER . 27.8 m-70 -84.43 109.99 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.708 HG22 HG13 ' A' ' 22' ' ' VAL . 2.4 m -108.18 128.13 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.483 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.5 m-30 -97.51 119.61 36.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' SER . 9.2 mt -72.17 -58.8 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.8 p -113.83 -138.23 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' HG3' ' CE1' ' A' ' 19' ' ' HIS . 4.6 pt-20 -89.53 -35.48 15.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.506 ' CE1' ' HG3' ' A' ' 18' ' ' GLU . 7.9 m-70 -127.8 35.8 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.614 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -139.59 134.23 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.953 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 24.2 p90 -160.96 172.48 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.121 HG11 HG13 ' A' ' 39' ' ' VAL . 2.5 p -148.41 122.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.61 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 1.9 p -83.04 149.57 26.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.693 ' HB ' HG23 ' A' ' 35' ' ' ILE . 92.6 t -140.37 128.46 24.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 2.8 tptt -83.65 99.17 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -115.78 -179.8 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.6 175.56 8.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.913 ' HA ' HD13 ' A' ' 71' ' ' ILE . 15.9 m -75.64 -12.38 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.592 ' HA ' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -129.85 26.82 5.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.537 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -79.63 149.6 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 67' ' ' ASN . 16.0 pt -89.59 165.49 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 1.033 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -61.6 -42.98 99.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.9 tp-100 -48.57 -42.85 34.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.667 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.0 mm-40 -59.37 -15.42 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.871 HG13 HG21 ' A' ' 70' ' ' VAL . 5.6 mm -100.94 -53.94 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.846 HD11 ' CB ' ' A' ' 50' ' ' LEU . 19.2 tp -50.8 -41.74 57.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.88 -30.21 70.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.706 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.8 t -84.69 -50.52 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.121 HG13 HG11 ' A' ' 22' ' ' VAL . 94.2 t -54.63 -51.92 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.7 -45.54 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.33 -39.77 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.706 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -63.85 -19.03 64.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.767 HD11 HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -117.63 0.82 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ALA . 31.4 mt-30 54.89 64.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.519 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -143.21 -162.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -115.23 107.55 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.777 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.8 pt-20 -46.43 -41.6 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -60.23 -25.25 65.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ALA . 82.6 m-20 -93.22 -6.77 46.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.846 ' CB ' HD11 ' A' ' 36' ' ' LEU . 77.4 mt -107.54 -179.59 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.72 143.79 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.033 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -84.07 114.3 21.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 84' ' ' TYR . 2.4 m -117.58 122.67 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.25 154.31 18.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.5 HG13 ' CD1' ' A' ' 82' ' ' TYR . 1.9 mt -124.1 156.14 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 57' ' ' PHE . 7.4 t -109.31 -174.0 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.442 ' N ' ' OG1' ' A' ' 56' ' ' THR . 18.7 t80 -67.61 -55.02 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -34.67 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.97 85.69 1.89 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -157.1 128.15 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -77.67 148.56 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -150.96 110.23 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.573 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.416 ' CG ' HG12 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -78.91 116.02 18.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.4 mm? -74.71 -123.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.718 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 16.3 mt-30 -159.03 170.41 8.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.718 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.01 8.49 2.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.686 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -125.71 -35.07 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.485 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -43.74 103.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.592 HD21 ' HA ' ' A' ' 29' ' ' SER . 1.5 tp -41.71 148.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.871 HG21 HG13 ' A' ' 35' ' ' ILE . 11.2 m -117.65 67.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.913 HD13 ' HA ' ' A' ' 28' ' ' VAL . 2.4 tt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.484 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.581 HD12 ' N ' ' A' ' 81' ' ' ILE . 3.2 mp -100.93 151.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 9.2 m-85 -140.77 166.39 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 HG11 ' A' ' 39' ' ' VAL . 4.1 p -130.48 123.92 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.586 ' CE1' HG21 ' A' ' 53' ' ' VAL . 4.7 m-85 -115.26 174.51 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.17 138.53 37.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.8 mttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.15 36.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.472 HG21 ' HA ' ' A' ' 28' ' ' VAL . 12.2 tt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.4 m-85 -133.86 138.35 45.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -95.74 111.43 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 108.29 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -81.33 113.48 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.624 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.84 HG11 HG11 ' A' ' 39' ' ' VAL . 2.9 t -115.56 98.47 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.461 ' O ' HG12 ' A' ' 83' ' ' VAL . 3.3 m-85 -71.56 141.05 50.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.1 mt -101.22 -56.54 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -113.8 -138.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -89.62 -34.81 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -131.8 38.84 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -138.9 141.66 38.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -159.12 178.78 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.589 HG21 ' CB ' ' A' ' 42' ' ' LYS . 11.6 p -136.62 135.83 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.2 p -90.42 105.99 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.864 HG11 HG23 ' A' ' 35' ' ' ILE . 92.2 t -105.82 121.98 58.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -93.09 99.25 11.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.508 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -119.04 -179.5 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' N ' ' OG ' ' A' ' 30' ' ' SER . 13.6 mmtm -72.42 176.3 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.472 ' HA ' HG21 ' A' ' 10' ' ' ILE . 12.3 p -81.02 -15.43 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.4 t -132.12 32.8 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -80.96 155.43 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.645 HD12 ' HB3' ' A' ' 33' ' ' GLN . 15.7 pt -85.94 167.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.957 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -68.44 -44.98 73.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.645 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -43.42 -46.7 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.741 ' O ' HG23 ' A' ' 38' ' ' VAL . 26.8 mt-10 -52.55 -44.02 65.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.864 HG23 HG11 ' A' ' 24' ' ' VAL . 6.5 mm -66.62 -40.48 86.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.57 ' HG ' HD21 ' A' ' 52' ' ' LEU . 1.7 mt -52.02 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 34' ' ' GLU . 3.9 pttt -42.51 -31.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 34' ' ' GLU . 41.4 t -80.41 -63.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.84 HG11 HG11 ' A' ' 14' ' ' VAL . 84.5 t -52.41 -54.28 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.511 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . . . -35.51 -48.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.6 OUTLIER -74.08 -50.55 19.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.641 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -47.51 -25.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.904 HD11 HD11 ' A' ' 50' ' ' LEU . 2.2 pt -108.18 -23.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' ALA . 35.3 mt-30 80.73 56.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.505 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -137.15 -161.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.14 108.64 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.511 ' OE1' ' CB ' ' A' ' 40' ' ' ALA . 3.6 pm0 -46.78 -40.32 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' CG ' ' OD1' ' A' ' 49' ' ' ASP . 5.9 pt-20 -59.76 -24.37 64.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -99.07 -7.43 26.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.904 HD11 HD11 ' A' ' 43' ' ' ILE . 93.9 mt -106.29 -179.75 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.427 ' HB1' ' CG ' ' A' ' 63' ' ' GLU . . . -173.77 143.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.957 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.5 mm? -81.25 116.44 21.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' TYR . 2.3 t -110.86 109.85 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.497 ' HB2' HG13 ' A' ' 81' ' ' ILE . . . -104.14 131.72 51.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.445 HD13 ' HG2' ' A' ' 61' ' ' LYS . 2.1 mt -123.82 156.28 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -107.98 174.88 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -65.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -59.28 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.79 85.69 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 55' ' ' ILE . 32.1 mt-10 -137.14 117.66 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.529 ' HE2' ' CZ ' ' A' ' 84' ' ' TYR . 2.9 mmtp -74.06 138.57 44.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.19 110.18 3.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' CG ' ' HB1' ' A' ' 51' ' ' ALA . 1.9 tm-20 -87.81 -4.18 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.3 OUTLIER 38.0 -154.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -120.98 163.22 30.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.65 10.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.489 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -114.88 -2.08 13.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 153.01 40.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.9 mt -75.36 144.68 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.52 HG13 ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -108.32 19.49 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.471 ' O ' ' CE2' ' A' ' 82' ' ' TYR . 1.5 mtm180 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.497 HG13 ' HB2' ' A' ' 54' ' ' ALA . 3.6 mp -77.88 148.06 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.471 ' CE2' ' O ' ' A' ' 80' ' ' ARG . 96.3 m-85 -135.69 174.66 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 15' ' ' TYR . 1.4 p -134.74 130.79 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.529 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 9.8 m-85 -125.04 164.24 20.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 95' ' ' PHE . 4.9 mpp_? -93.49 142.6 27.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ASP . 1.6 mtpt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.442 HD22 ' N ' ' A' ' 93' ' ' ASN . 1.9 m-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.79 28.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 1.5 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.439 ' CD1' HG13 ' A' ' 71' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.02 147.28 50.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.802 ' SG ' HG21 ' A' ' 35' ' ' ILE . 12.5 t -110.34 92.98 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 108.291 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -71.19 119.8 15.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.694 HG11 HG11 ' A' ' 39' ' ' VAL . 43.8 t -113.9 98.7 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.96 107.4 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.426 HD11 ' CG2' ' A' ' 22' ' ' VAL . 9.8 mt -66.16 -55.75 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.0 p -119.49 -140.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' N ' ' OG1' ' A' ' 17' ' ' THR . 2.7 tp10 -91.26 -32.17 15.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -126.57 33.98 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.603 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.37 137.78 36.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -159.46 173.72 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.535 HG11 ' HG2' ' A' ' 42' ' ' LYS . 2.9 t -142.69 133.89 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 96.57 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.777 HG11 HG23 ' A' ' 35' ' ' ILE . 94.7 t -93.83 119.78 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -88.55 98.24 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.584 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -112.81 -179.76 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -80.2 173.13 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.8 m -76.76 -7.95 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.85 18.75 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.549 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -73.35 146.47 45.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.797 HG22 ' O ' ' A' ' 67' ' ' ASN . 14.1 pt -89.85 167.13 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 1.095 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -59.93 -44.02 94.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -48.63 -44.41 37.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.657 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.5 mm-40 -59.12 -15.36 13.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.942 HG13 HG21 ' A' ' 70' ' ' VAL . 3.8 mm -102.12 -52.59 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.775 ' HB2' HD21 ' A' ' 52' ' ' LEU . 14.2 tp -52.45 -40.32 62.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.466 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -63.61 -29.93 71.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.73 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.5 t -85.2 -54.3 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.694 HG11 HG11 ' A' ' 14' ' ' VAL . 40.8 t -52.97 -53.67 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.39 -44.7 0.44 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -46.71 53.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.73 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.17 -21.24 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.756 HD11 HD11 ' A' ' 50' ' ' LEU . 1.7 pt -110.48 -20.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ALA . 22.8 mt-30 78.23 58.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.504 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -138.3 -162.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.649 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -113.67 107.41 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.721 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -47.61 -42.18 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.52 -20.97 63.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.649 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 75.4 m-20 -97.79 -6.36 32.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.756 HD11 HD11 ' A' ' 43' ' ' ILE . 89.5 mt -108.1 179.84 4.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.39 143.09 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.095 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -83.88 118.46 23.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.614 HG21 ' CE1' ' A' ' 84' ' ' TYR . 1.9 m -119.48 123.29 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.55 156.74 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 1.7 mt -125.89 156.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.2 t -113.69 169.57 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.9 83.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 169.26 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.99 67.41 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -140.12 112.22 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 3.6 mttt -73.23 147.35 44.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.84 110.04 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.02 118.12 20.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.4 mm? -76.91 -122.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.705 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 17.5 mt-30 -157.9 170.15 9.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.705 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.94 10.96 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.797 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.7 t30 -128.91 -36.71 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.486 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -41.13 116.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 69' ' ' LEU . 14.3 mt -50.86 144.29 8.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.942 HG21 HG13 ' A' ' 35' ' ' ILE . 12.1 m -113.3 50.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.439 HG13 ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.5 mm -88.03 148.27 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -133.6 177.22 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -144.68 129.09 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.614 ' CE1' HG21 ' A' ' 53' ' ' VAL . 5.8 m-85 -121.28 169.62 10.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.408 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -94.08 139.37 31.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 49' ' ' ASP . 1.3 mtpt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 m120 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 130.15 13.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.429 ' HZ ' HD22 ' A' ' 50' ' ' LEU . 68.9 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.731 HG21 HD13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -134.63 135.45 42.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.742 ' SG ' HG21 ' A' ' 35' ' ' ILE . 35.6 t -108.0 121.67 45.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.35 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.609 ' CE1' ' HB2' ' A' ' 23' ' ' SER . 67.8 m-70 -108.21 121.01 43.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 39' ' ' VAL . 1.1 m -112.37 122.91 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 80' ' ' ARG . 3.4 m-30 -90.57 116.48 28.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 21' ' ' TYR . 1.7 mp -71.68 -55.1 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.478 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 77.4 p -117.91 -137.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.08 -40.31 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -123.72 33.01 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.478 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 3.1 m -136.87 135.83 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.533 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 29.2 p90 -160.69 176.66 11.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.734 HG21 HG13 ' A' ' 39' ' ' VAL . 2.4 t -132.51 133.8 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 2.2 p -95.46 109.24 21.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.552 HG21 HG23 ' A' ' 39' ' ' VAL . 51.8 t -107.79 144.73 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 11.6 tttt -111.09 98.78 7.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.574 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -124.05 -179.55 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -88.75 175.68 7.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -77.12 -14.51 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.499 ' O ' HD11 ' A' ' 69' ' ' LEU . 8.0 t -113.27 7.36 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.533 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -72.75 128.36 35.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 67' ' ' ASN . 16.0 pt -67.44 164.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.956 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -60.69 -43.41 97.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.463 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.0 tp-100 -48.86 -40.23 28.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.5 mm-40 -59.55 -15.51 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.742 HG21 ' SG ' ' A' ' 12' ' ' CYS . 6.1 mm -101.76 -51.69 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 52' ' ' LEU . 14.3 tp -53.72 -40.09 65.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -62.81 -30.23 71.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.812 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.7 t -83.29 -58.65 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG11 HG21 ' A' ' 14' ' ' VAL . 81.2 t -47.8 -55.08 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.28 -44.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -69.69 -44.78 69.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.812 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -52.34 -29.18 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.514 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.2 pt -104.49 -18.64 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.7 mt-30 76.69 55.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.645 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -131.05 -162.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.599 ' HB3' ' CG ' ' A' ' 49' ' ' ASP . . . -111.43 101.39 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.736 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.2 pt-20 -42.64 -43.85 4.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.63 -35.02 71.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.599 ' CG ' ' HB3' ' A' ' 46' ' ' ALA . 13.9 m-20 -79.91 -14.16 58.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -102.88 -179.65 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.06 150.08 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.956 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -82.13 110.57 17.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 82' ' ' TYR . 16.4 t -102.93 109.9 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.64 117.63 33.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.2 mt -94.32 158.33 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.61 HG22 ' HG2' ' A' ' 60' ' ' GLU . 8.2 t -114.54 177.75 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.64 -55.66 32.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.18 -31.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.95 67.22 0.94 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.61 ' HG2' HG22 ' A' ' 56' ' ' THR . 3.1 pt-20 -146.2 132.68 19.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.404 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -71.23 149.54 46.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.84 130.13 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.565 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.96 141.73 36.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -123.27 -159.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.29 162.98 19.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.437 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -75.04 -5.33 16.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.625 ' O ' HG22 ' A' ' 31' ' ' ILE . 29.6 m-20 -110.45 -3.07 16.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.6 130.02 40.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 69' ' ' LEU . 1.5 tp -55.63 148.1 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.83 45.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.731 HD13 HG21 ' A' ' 10' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.419 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.3 mp -91.95 153.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 12.4 m-85 -135.89 176.27 8.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.617 HG23 ' HB3' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -139.89 113.1 5.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -107.42 174.19 5.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 45' ' ' TYR . 30.8 mtm105 -105.11 138.43 41.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.7 mttt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.7 6.74 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.532 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 12.9 m-85 -135.42 155.54 50.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -112.66 101.35 9.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 108.319 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -71.26 109.69 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.587 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 39' ' ' VAL . 2.1 t -106.56 105.84 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.515 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 4.1 m-85 -85.43 117.39 24.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 mt -73.77 -60.42 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.532 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 71.7 p -112.84 -135.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.583 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 12.7 pt-20 -95.57 -34.26 12.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 90.8 m-70 -125.71 34.17 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.532 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 1.5 m -139.84 141.12 36.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 3.6 p90 -159.05 -178.61 7.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.702 HG11 HG13 ' A' ' 39' ' ' VAL . 2.3 p -153.71 137.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 p -88.74 131.42 35.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.708 HG11 HG23 ' A' ' 35' ' ' ILE . 56.4 t -128.7 116.24 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -82.11 98.82 8.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -116.26 179.94 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -71.11 176.45 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.0 p -79.58 -5.07 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.2 m -144.57 34.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.966 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.482 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -76.92 157.21 31.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.049 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 33' ' ' GLN . 13.8 pt -96.64 162.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.817 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -58.73 -45.1 90.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.489 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.5 tp-100 -45.52 -48.69 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.901 ' O ' HG23 ' A' ' 38' ' ' VAL . 40.6 mt-10 -57.83 -29.65 65.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.708 HG23 HG11 ' A' ' 24' ' ' VAL . 10.3 mm -83.64 -40.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.909 ' HB2' HD21 ' A' ' 52' ' ' LEU . 15.8 tp -56.61 -51.53 68.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.507 ' CB ' ' OE2' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -55.47 -31.61 62.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 34' ' ' GLU . 41.6 t -79.79 -65.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 14' ' ' VAL . 97.7 t -45.6 -53.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -37.66 -44.25 0.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.02 -44.8 60.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.622 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -55.53 -21.77 18.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.732 HD11 HD11 ' A' ' 50' ' ' LEU . 1.3 pt -111.89 -16.3 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 40' ' ' ALA . 23.9 mt-30 73.46 58.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -138.17 -162.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.99 107.68 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.719 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -45.49 -44.48 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.89 -25.73 65.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ALA . 2.6 m-20 -90.38 -6.66 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 43' ' ' ILE . 62.6 mt -107.31 169.05 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -153.12 133.33 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.909 HD21 ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -83.7 118.71 24.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.834 HG12 ' HA ' ' A' ' 63' ' ' GLU . 5.7 m -133.31 133.26 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -94.95 157.45 15.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.54 HG13 ' CD1' ' A' ' 82' ' ' TYR . 3.1 mt -127.8 157.1 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 t -109.33 166.91 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -48.66 -55.61 10.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.78 -65.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.66 72.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 55' ' ' ILE . 52.6 mt-10 -146.15 130.61 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 3.3 mtmm -80.2 144.08 33.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -140.87 111.9 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.834 ' HA ' HG12 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -85.76 149.85 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -127.16 -154.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -108.16 163.1 17.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.446 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -74.96 -2.91 13.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.488 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -112.99 -4.51 13.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.58 125.07 25.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.1 mt -53.72 142.13 24.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.433 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -108.14 19.02 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 54' ' ' ALA . 47.4 mm -85.9 145.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CD1' HG13 ' A' ' 55' ' ' ILE . 63.1 m-85 -140.74 138.85 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.446 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 8.0 p -104.82 153.93 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.705 ' CD1' ' O ' ' A' ' 93' ' ' ASN . 54.5 m-85 -155.44 175.97 13.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -91.47 124.1 35.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.705 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.611 ' HA ' ' CD1' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 124.48 8.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 8.6 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.713 HG21 HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -134.94 148.09 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.909 ' SG ' HG21 ' A' ' 35' ' ' ILE . 10.8 t -113.25 115.54 28.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -90.57 121.85 32.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.463 HG11 HG11 ' A' ' 39' ' ' VAL . 23.0 t -120.07 98.62 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.4 m-85 -70.07 113.1 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.517 HD11 ' CG2' ' A' ' 22' ' ' VAL . 12.0 mt -72.42 -60.9 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.483 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 66.9 p -106.83 -135.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.79 -33.16 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -128.22 35.87 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.483 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 3.4 m -139.3 143.08 37.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -159.17 -178.58 7.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.58 HG11 ' HG2' ' A' ' 42' ' ' LYS . 4.1 t -142.64 141.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.0 p -100.54 91.21 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.568 ' HB ' HG23 ' A' ' 35' ' ' ILE . 90.6 t -90.79 123.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.5 98.91 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.571 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -117.84 -179.79 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -74.42 176.45 6.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.2 p -80.44 -7.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 t -139.72 31.45 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -76.43 160.06 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.987 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 67' ' ' ASN . 13.2 pt -92.59 166.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 1.044 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -60.78 -43.5 98.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.525 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -48.62 -43.31 36.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 38' ' ' VAL . 25.7 mm-40 -58.07 -20.75 41.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.909 HG21 ' SG ' ' A' ' 12' ' ' CYS . 4.5 mm -101.12 -48.27 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.768 ' HB2' HD21 ' A' ' 52' ' ' LEU . 13.0 tp -56.44 -39.48 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -62.49 -31.13 71.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.957 HG12 ' HE3' ' A' ' 42' ' ' LYS . 12.5 t -83.61 -56.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.463 HG11 HG11 ' A' ' 14' ' ' VAL . 95.0 t -48.59 -54.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.39 -49.25 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -69.1 -44.6 72.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.957 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -51.93 -29.62 20.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 50' ' ' LEU . 2.5 pt -104.17 -18.71 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ALA . 34.7 mt-30 78.61 55.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -132.41 -160.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.611 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -114.57 103.94 11.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.737 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -45.33 -42.91 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -60.12 -31.1 69.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.611 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 44.8 m-20 -88.11 -3.88 58.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.628 ' HB3' HD11 ' A' ' 36' ' ' LEU . 80.9 mt -108.03 177.1 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HB1' ' CG ' ' A' ' 63' ' ' GLU . . . -168.49 144.88 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.044 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.5 mm? -83.13 119.11 24.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 61' ' ' LYS . 75.0 t -107.68 109.65 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.711 ' CB ' HD21 ' A' ' 64' ' ' LEU . . . -88.77 143.99 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.626 HD13 ' HA ' ' A' ' 61' ' ' LYS . 4.1 mm -115.73 146.04 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -120.57 -178.59 3.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.433 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -44.9 166.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.24 -72.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.2 68.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -126.8 124.11 38.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.626 ' HA ' HD13 ' A' ' 55' ' ' ILE . 7.5 mttt -90.32 148.67 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -149.97 126.25 10.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.547 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.436 ' CG ' ' HB1' ' A' ' 51' ' ' ALA . 1.2 tt0 -89.08 115.52 26.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.711 HD21 ' CB ' ' A' ' 54' ' ' ALA . 2.5 mm? -75.36 -123.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.699 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 7.7 mt-30 -157.86 170.65 8.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.699 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.99 8.37 2.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.683 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -123.66 -34.32 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.457 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -50.47 125.34 12.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 30' ' ' SER . 20.7 mt -50.25 152.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.461 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.9 -14.61 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.713 HD13 HG21 ' A' ' 10' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 81' ' ' ILE . 4.3 mp -110.33 158.66 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.468 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 96.2 m-85 -140.55 176.91 8.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 2.5 p -134.09 128.04 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.433 ' OH ' ' CD ' ' A' ' 61' ' ' LYS . 5.1 m-85 -116.56 170.06 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 4.4 ttm105 -97.18 120.71 38.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -178.48 4.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -135.64 147.28 48.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 35' ' ' ILE . 38.1 t -108.9 95.34 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.412 ' HB2' ' NH1' ' A' ' 80' ' ' ARG . 35.6 m-70 -80.71 111.74 17.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.725 HG22 HG13 ' A' ' 22' ' ' VAL . 3.2 m -108.39 128.71 63.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.563 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.9 m-30 -95.67 115.06 26.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' SER . 2.7 mt -64.45 -56.54 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.413 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 71.0 p -118.83 -134.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.2 -37.98 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.25 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -125.52 35.39 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.58 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' ILE . 1.5 m -139.77 137.03 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 24.4 p90 -160.63 171.27 19.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.037 HG11 HG13 ' A' ' 39' ' ' VAL . 2.5 p -144.5 122.97 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -76.23 147.42 38.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.802 HG11 HG23 ' A' ' 35' ' ' ILE . 38.1 t -139.25 127.36 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 tttt -91.31 98.46 11.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.617 ' HB1' ' CB ' ' A' ' 30' ' ' SER . . . -120.94 178.94 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -80.49 171.08 15.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.96 -13.4 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.414 ' HA ' HD11 ' A' ' 69' ' ' LEU . 6.3 t -126.21 26.95 6.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.617 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -82.09 129.09 34.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.679 HD12 ' HB3' ' A' ' 33' ' ' GLN . 8.5 pt -70.55 163.7 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.712 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -57.74 -40.79 80.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.679 ' HB3' HD12 ' A' ' 31' ' ' ILE . 10.1 tp60 -51.24 -44.19 61.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.692 ' O ' HG23 ' A' ' 38' ' ' VAL . 50.2 mm-40 -60.59 -15.37 27.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.903 HG13 HG21 ' A' ' 70' ' ' VAL . 5.4 mm -97.12 -50.43 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.914 HD11 ' CB ' ' A' ' 50' ' ' LEU . 21.3 tp -52.04 -45.65 64.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -58.53 -27.71 64.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.7 HG12 ' CE ' ' A' ' 42' ' ' LYS . 19.9 t -85.8 -48.56 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.037 HG13 HG11 ' A' ' 22' ' ' VAL . 95.8 t -57.74 -51.98 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.77 -46.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -39.42 74.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.875 ' HB3' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -62.81 -20.26 64.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.556 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -120.23 5.77 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' ALA . 29.0 mt-30 50.07 62.73 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.556 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -135.84 -161.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -116.67 105.3 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.765 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.7 pt-20 -44.09 -47.26 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.1 -26.91 61.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.533 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 49.9 m-20 -91.51 -4.53 55.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.914 ' CB ' HD11 ' A' ' 36' ' ' LEU . 81.1 mt -107.12 168.73 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -153.32 136.81 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.843 HD21 ' HB2' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -82.42 111.62 18.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 82' ' ' TYR . 59.5 t -115.56 131.84 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -105.21 156.5 18.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.571 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.4 mt -126.86 157.87 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -107.6 168.96 8.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -46.25 -58.3 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 63.4 m -44.42 -65.5 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.91 74.58 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -145.75 123.45 11.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 0.771 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 7.3 mtmt -70.87 141.7 51.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -139.16 112.13 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.83 132.7 35.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -114.55 -159.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -105.67 163.63 16.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.55 3.07 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -77.12 112.05 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -47.8 131.26 14.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.903 HG21 HG13 ' A' ' 35' ' ' ILE . 4.1 m -93.68 24.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 mm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 13' ' ' HIS . 1.2 mmp_? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.416 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 42.7 mm -87.32 159.21 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' HG13 ' A' ' 55' ' ' ILE . 33.8 m-85 -141.03 142.8 34.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.54 HG11 HG11 ' A' ' 39' ' ' VAL . 3.4 p -110.68 152.63 12.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.69 ' CD1' ' O ' ' A' ' 93' ' ' ASN . 57.3 m-85 -154.35 177.54 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.576 ' HG2' ' CE1' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -99.0 117.94 34.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.69 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 14.3 m-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.568 ' HA ' ' CD1' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -75.03 132.92 15.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.576 ' CE1' ' HG2' ' A' ' 85' ' ' ARG . 33.8 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.44 154.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.751 . . . . 0.0 110.053 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -166.92 101.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.6 139.79 35.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -85.19 122.76 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.025 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -164.3 122.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . 66.29 -179.93 11.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER 35.22 40.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.29 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 120.28 24.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 71' ' ' ILE . 0.6 OUTLIER -148.37 178.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 7.8 m-85 -134.98 150.94 50.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' SG ' HG21 ' A' ' 35' ' ' ILE . 36.3 t -111.35 124.4 52.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.08 . . . . 0.0 108.287 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -88.18 119.92 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.543 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.626 HG11 HG11 ' A' ' 39' ' ' VAL . 2.4 t -121.62 106.63 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.481 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 m-85 -81.65 122.36 27.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.0 mt -82.13 -57.16 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.479 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 68.6 p -113.81 -139.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -36.37 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -130.06 37.65 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.622 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.479 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 3.8 m -139.2 145.31 39.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.97 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 0.8 OUTLIER -159.48 -178.51 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.996 HG11 HG13 ' A' ' 39' ' ' VAL . 2.8 p -143.38 123.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 p -78.11 119.61 21.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.518 HG11 HG23 ' A' ' 35' ' ' ILE . 74.0 t -118.99 130.11 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -97.35 99.59 11.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -123.17 179.08 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -73.57 176.04 6.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.236 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.19 -11.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.408 ' O ' HD11 ' A' ' 69' ' ' LEU . 33.1 t -134.8 32.87 3.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.4 138.84 33.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 67' ' ' ASN . 14.2 pt -67.7 164.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.845 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -60.64 -44.23 96.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.502 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -47.85 -42.84 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.727 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.1 mm-40 -56.8 -20.68 23.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.518 HG23 HG11 ' A' ' 24' ' ' VAL . 6.1 mm -97.28 -47.05 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.704 ' HB2' HD21 ' A' ' 52' ' ' LEU . 15.0 tp -55.31 -42.73 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.14 -29.87 70.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 34' ' ' GLU . 17.4 t -82.88 -56.97 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.996 HG13 HG11 ' A' ' 22' ' ' VAL . 65.6 t -52.21 -53.04 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -37.65 -47.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -43.32 64.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.709 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.92 -17.95 41.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.842 HD11 HD11 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -111.79 -15.73 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' ALA . 40.2 mt-30 73.92 59.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.506 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -143.38 -161.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -116.11 108.46 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.69 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.3 pt-20 -46.37 -41.83 14.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -60.7 -28.9 68.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -91.78 -4.53 54.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.842 HD11 HD11 ' A' ' 43' ' ' ILE . 89.6 mt -108.35 176.76 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -162.92 147.77 11.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.845 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.1 mm? -83.79 116.27 22.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.792 HG22 ' OE2' ' A' ' 63' ' ' GLU . 54.6 t -102.09 112.2 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.35 119.27 32.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.4 mt -115.28 154.89 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -107.5 177.13 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.84 -56.95 15.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.75 -44.64 3.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.05 77.85 0.83 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 55' ' ' ILE . 17.3 mt-10 -143.42 122.92 13.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.556 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 0.9 OUTLIER -71.6 142.77 49.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.75 142.12 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.574 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.792 ' OE2' HG22 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -119.33 147.6 44.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.36 -157.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -105.9 163.11 17.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.03 16.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.584 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.1 p30 -107.94 -4.53 17.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -73.98 138.69 44.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 69' ' ' LEU . 1.7 tp -59.3 156.12 13.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.476 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.68 -41.65 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 10' ' ' ILE . 4.2 tt -113.33 70.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.459 ' HB3' HD23 ' A' ' 69' ' ' LEU . 23.8 p -108.74 -56.16 2.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.0 82.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.423 ' OG ' HD23 ' A' ' 75' ' ' LEU . 20.4 t -82.6 -55.8 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.423 HD23 ' OG ' ' A' ' 74' ' ' SER . 0.5 OUTLIER -161.72 82.26 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -161.95 108.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.66 108.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.66 157.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 177.51 150.19 8.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.03 120.29 10.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 110.261 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 52.1 mt -86.79 158.64 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 77.6 m-85 -138.18 177.53 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 3.1 p -136.63 127.7 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.765 ' CD1' HG21 ' A' ' 53' ' ' VAL . 5.8 m-85 -118.31 160.44 21.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -93.3 124.63 37.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -64.45 112.66 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.79 -165.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.718 ' N ' HD23 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -95.14 8.39 43.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' THR . . . -122.94 143.28 50.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -40.06 -41.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.357 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' ALA . 2.5 p -58.26 168.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.759 HD12 ' CD ' ' A' ' 63' ' ' GLU . 7.2 mt -118.68 -52.37 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.8 m120 61.84 141.05 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -166.23 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 20.9 m-85 -105.68 -174.43 2.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -115.5 -54.69 2.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -175.28 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 m120 41.18 86.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.47 167.5 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.96 -177.06 16.54 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.03 43.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.95 146.28 27.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t 39.56 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -141.37 -58.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 m -73.47 141.0 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.52 -151.12 21.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t 63.29 72.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.023 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.36 -177.05 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.73 141.22 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.502 ' HB3' HG13 ' A' ' 28' ' ' VAL . 14.8 mt-10 -138.93 61.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.78 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -84.12 113.65 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -166.07 159.92 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -130.97 143.37 50.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.494 ' SG ' HG21 ' A' ' 35' ' ' ILE . 42.4 t -107.71 102.91 12.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -73.7 118.83 17.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.563 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.625 HG11 HG11 ' A' ' 39' ' ' VAL . 2.3 t -119.21 102.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.517 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 m-85 -77.64 127.64 32.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.8 mt -87.67 -54.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.9 p -117.02 -139.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.517 ' HG3' ' CG ' ' A' ' 19' ' ' HIS . 10.5 pt-20 -85.54 -42.94 13.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.243 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.517 ' CG ' ' HG3' ' A' ' 18' ' ' GLU . 8.1 m-70 -125.77 35.38 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -134.26 143.64 47.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -159.38 -178.34 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.928 HG11 HG13 ' A' ' 39' ' ' VAL . 2.7 p -144.06 122.19 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -74.87 128.14 34.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.648 HG11 HG23 ' A' ' 35' ' ' ILE . 96.6 t -130.02 122.92 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -92.16 98.8 11.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.703 ' HB1' ' CB ' ' A' ' 30' ' ' SER . . . -112.39 -179.83 3.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -82.41 176.44 9.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG13 ' HB3' ' A' ' 8' ' ' GLU . 15.2 m -74.04 -19.22 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.49 ' HA ' HD11 ' A' ' 69' ' ' LEU . 27.3 t -121.39 16.04 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.703 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -62.09 144.14 55.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.596 HG21 ' ND2' ' A' ' 67' ' ' ASN . 10.3 pt -88.62 164.23 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 1.022 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -57.73 -40.2 79.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.512 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -53.93 -41.06 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.64 ' O ' HG23 ' A' ' 38' ' ' VAL . 36.6 mt-10 -59.2 -15.07 12.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.648 HG23 HG11 ' A' ' 24' ' ' VAL . 6.6 mm -103.44 -48.03 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.677 HD13 HD13 ' A' ' 52' ' ' LEU . 13.2 tp -57.6 -39.24 76.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HE2' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.32 -30.28 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.738 HG12 ' CE ' ' A' ' 42' ' ' LYS . 12.2 t -84.79 -52.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.928 HG13 HG11 ' A' ' 22' ' ' VAL . 62.9 t -54.94 -52.64 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -38.24 -46.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -42.46 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.738 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.99 -18.25 56.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -111.57 -13.74 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' ALA . 25.5 mt-30 71.89 60.39 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -144.0 -163.33 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -115.0 106.7 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.674 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -44.95 -41.15 7.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 4.2 pt-20 -60.77 -33.47 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 46' ' ' ALA . 67.4 m-20 -87.25 -4.83 59.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 43' ' ' ILE . 89.4 mt -107.56 -179.78 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.659 ' HB2' ' HD2' ' A' ' 86' ' ' LYS . . . -165.98 148.25 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.022 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -83.56 114.51 21.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.632 HG21 ' CD1' ' A' ' 84' ' ' TYR . 8.8 t -100.56 116.18 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -103.34 107.25 18.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 2.8 mt -86.23 158.14 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -106.99 167.79 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.85 -60.88 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.8 m -39.65 -67.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.04 72.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -151.18 129.44 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -72.11 150.95 43.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.97 118.84 6.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.13 149.67 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -130.15 -159.58 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.08 164.31 16.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -2.4 12.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.596 ' ND2' HG21 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -137.31 44.88 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 69' ' ' LEU . 26.8 t70 -96.04 -12.82 24.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD11 ' HA ' ' A' ' 29' ' ' SER . 0.1 OUTLIER 84.7 128.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.93 45.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 71' ' ' ILE . 0.8 OUTLIER 178.27 50.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -179.44 99.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.88 47.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.438 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.7 OUTLIER 40.01 40.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 74' ' ' SER . 0.1 OUTLIER -163.32 -51.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 64.15 155.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 51.77 178.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m 62.35 165.42 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.43 167.35 40.14 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 15' ' ' TYR . 5.7 mtm180 -144.19 110.97 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.558 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.0 mm -78.11 155.59 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 73.3 m-85 -138.83 177.18 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.76 134.13 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.748 ' HB3' HD22 ' A' ' 92' ' ' LEU . 11.0 m-85 -127.65 169.79 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 95' ' ' PHE . 50.3 mtm180 -96.77 137.31 36.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.659 ' HD2' ' HB2' ' A' ' 51' ' ' ALA . 13.5 mtpt -107.88 129.81 55.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -173.86 176.99 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.703 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -41.28 99.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 88' ' ' LEU . . . 161.42 -27.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER 72.77 -59.72 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.4 m -52.27 176.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.748 HD22 ' HB3' ' A' ' 84' ' ' TYR . 38.2 mt -134.11 125.53 28.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -107.71 151.29 41.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.55 41.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.442 1.759 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.541 ' CZ ' ' HG3' ' A' ' 85' ' ' ARG . 14.8 m-85 -78.27 -177.64 5.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 44.06 76.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -98.6 69.55 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -136.83 -55.4 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 p -101.17 159.55 15.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.95 163.31 12.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.52 5.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.41 139.15 39.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.03 136.39 57.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.21 137.93 33.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.59 -57.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.73 100.54 0.21 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.68 98.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -167.72 -58.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.04 80.36 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -169.24 50.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 110.253 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -74.27 125.72 29.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.6 HD13 ' CD1' ' A' ' 71' ' ' ILE . 1.3 tt -163.9 152.89 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -123.27 156.18 35.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.842 ' SG ' HG21 ' A' ' 35' ' ' ILE . 26.4 t -123.18 112.86 18.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 108.281 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -86.44 120.75 28.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.583 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.976 HG21 HG21 ' A' ' 39' ' ' VAL . 53.0 t -114.15 98.78 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -73.48 105.12 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.655 HD11 ' CG2' ' A' ' 22' ' ' VAL . 9.0 mt -63.09 -59.16 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.7 p -115.48 -139.24 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -94.53 -34.1 12.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -123.03 31.6 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 m -139.68 144.85 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -159.62 178.17 10.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.655 ' CG2' HD11 ' A' ' 16' ' ' ILE . 2.9 t -141.18 139.61 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p -96.02 95.65 8.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.789 HG11 HG23 ' A' ' 35' ' ' ILE . 96.5 t -97.23 148.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -98.92 98.84 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.751 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -100.02 179.81 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -116.51 177.41 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 p -73.34 -11.09 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -147.33 46.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.8 t -102.59 138.95 38.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.667 HD12 ' HB3' ' A' ' 33' ' ' GLN . 11.4 pt -74.97 162.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.997 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -60.82 -41.52 95.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.667 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -49.11 -43.73 41.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.69 ' O ' HG23 ' A' ' 38' ' ' VAL . 64.1 mm-40 -56.02 -19.6 13.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.842 HG21 ' SG ' ' A' ' 12' ' ' CYS . 10.7 mm -100.67 -47.7 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.695 HD21 ' O ' ' A' ' 47' ' ' GLU . 13.2 tp -56.41 -39.34 72.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.02 -31.2 72.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.712 HG12 ' CE ' ' A' ' 42' ' ' LYS . 12.4 t -82.75 -52.88 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.976 HG21 HG21 ' A' ' 14' ' ' VAL . 45.1 t -54.99 -52.43 43.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -38.51 -45.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.58 -43.24 63.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.712 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.6 -18.49 41.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -111.51 -16.89 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.0 mt-30 73.91 60.67 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.748 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -142.44 -162.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -114.52 104.6 12.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.695 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.6 pt-20 -44.52 -40.3 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.58 -35.86 77.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' ALA . 80.4 m-20 -87.33 -4.89 59.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' A' ' 45' ' ' TYR . 92.0 mt -107.94 -179.42 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -168.8 146.15 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.997 HD12 ' HB1' ' A' ' 32' ' ' ALA . 44.4 mt -83.34 112.68 20.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 62' ' ' HIS . 74.6 t -101.94 127.81 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -106.26 147.61 28.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 61' ' ' LYS . 16.2 mm -112.24 149.67 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -120.94 -178.42 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.62 162.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.93 -65.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.42 72.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -136.93 111.95 8.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.743 . . . . 0.0 110.271 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.749 ' HA ' HD13 ' A' ' 55' ' ' ILE . 1.4 ptpt -79.95 153.17 29.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.515 ' O ' HG13 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -138.34 156.34 47.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.56 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 92' ' ' LEU . 2.2 tt0 -118.04 115.04 24.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -95.32 -159.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -110.74 163.68 16.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.43 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.3 Cg_endo -74.94 -1.22 10.92 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.539 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -111.57 -8.72 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.02 128.74 37.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 69' ' ' LEU . 22.0 mt -56.93 146.17 27.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.71 34.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.6 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -155.87 50.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.87 137.25 3.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.48 160.99 41.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -51.98 -60.37 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.85 48.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.26 158.34 15.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -112.93 -69.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.7 m -88.91 159.81 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.986 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.43 159.17 9.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.34 -164.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 mm -124.22 150.99 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.616 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 78.3 m-85 -123.47 177.2 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.588 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -140.21 131.4 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.658 ' HB3' HD22 ' A' ' 92' ' ' LEU . 9.0 m-85 -125.73 151.36 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.736 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -92.81 134.41 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -85.58 142.05 29.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -171.94 -75.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 50.6 mt -70.78 95.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 51.72 -143.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -96.28 31.35 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -91.89 170.7 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.658 HD22 ' HB3' ' A' ' 84' ' ' TYR . 87.4 mt -151.58 125.79 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -119.9 152.08 53.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 120.0 5.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 83' ' ' VAL . 18.3 m-85 -40.9 -63.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.01 80.84 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.5 -63.32 1.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.84 104.56 16.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.08 100.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.15 -179.89 44.13 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -41.45 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.9 p -97.3 162.18 13.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.45 81.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -105.63 170.56 7.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.007 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.09 91.01 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.0 -147.44 5.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -140.83 93.07 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.79 147.21 36.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.1 122.15 5.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 178.9 60.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.95 130.13 36.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.707 HG21 HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -154.7 169.22 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.496 ' CZ ' ' HD2' ' A' ' 25' ' ' LYS . 2.1 m-85 -134.29 138.15 44.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.48 128.39 50.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.266 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -91.33 109.18 20.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.775 HG11 HG21 ' A' ' 39' ' ' VAL . 1.8 t -111.96 103.98 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.555 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 3.3 m-85 -78.15 144.51 36.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' ' 95' ' ' PHE . 23.4 mt -106.82 -56.7 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.2 p -111.35 -137.88 0.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' N ' ' OG1' ' A' ' 17' ' ' THR . 2.8 tt0 -91.84 -30.45 16.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -136.65 41.07 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.628 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -139.16 141.67 38.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -159.2 -178.19 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.578 HG11 HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -142.51 133.52 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 p -90.02 101.33 14.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.626 HG11 HG23 ' A' ' 35' ' ' ILE . 94.1 t -99.35 122.98 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 11' ' ' PHE . 3.3 tttt -92.33 98.78 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.541 ' HB1' ' CB ' ' A' ' 30' ' ' SER . . . -117.73 -179.78 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -75.15 176.51 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.7 p -80.7 -3.55 6.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -138.03 26.83 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.541 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -75.44 147.96 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 66' ' ' PRO . 10.9 pt -87.17 164.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 1.069 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -55.69 -41.9 74.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.8 tp-100 -54.03 -39.35 66.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' C ' HD13 ' A' ' 35' ' ' ILE . 2.2 mm-40 -63.08 -11.88 22.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.626 HG23 HG11 ' A' ' 24' ' ' VAL . 7.4 mm -107.65 -44.24 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.72 HD21 ' O ' ' A' ' 47' ' ' GLU . 13.4 tp -58.79 -39.76 82.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.641 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.48 -30.82 70.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.641 HG22 ' HE3' ' A' ' 37' ' ' LYS . 16.4 t -82.25 -57.61 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.775 HG21 HG11 ' A' ' 14' ' ' VAL . 93.5 t -47.71 -55.15 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.39 -42.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -43.3 62.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.625 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -56.64 -25.16 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 50' ' ' LEU . 1.4 pt -107.2 -17.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 40' ' ' ALA . 20.3 mt-30 74.95 59.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.512 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -137.49 -162.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.487 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -111.45 103.8 12.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.72 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.6 pt-20 -43.7 -40.91 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -60.18 -37.56 80.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.487 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 75.8 m-20 -80.23 -7.9 59.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.689 HD11 HD11 ' A' ' 43' ' ' ILE . 92.8 mt -107.83 176.01 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.56 141.44 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.069 HD12 ' HB1' ' A' ' 32' ' ' ALA . 43.2 mt -84.04 113.75 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 92' ' ' LEU . 1.7 m -115.99 133.04 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.817 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -108.77 139.09 44.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.7 mt -104.79 153.81 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 57' ' ' PHE . 7.8 t -116.08 -175.46 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.367 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' N ' ' OG1' ' A' ' 56' ' ' THR . 2.3 t80 -51.46 164.6 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m 69.14 -65.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' PHE . . . 145.34 86.52 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 20.3 mt-10 -145.98 118.56 8.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -70.66 152.46 43.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -149.99 110.28 4.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.559 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' CG ' HG12 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -87.36 131.64 34.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.935 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -108.05 -158.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -108.2 163.51 16.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.4 Cg_endo -74.98 -4.01 14.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.403 ' O ' HG22 ' A' ' 31' ' ' ILE . 2.3 m120 -112.67 0.04 15.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.15 141.72 52.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.0 mt -70.43 134.89 48.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.455 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -106.88 30.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.707 HD13 HG21 ' A' ' 10' ' ' ILE . 1.1 tt -168.14 65.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -138.27 -49.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 115.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.47 59.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.41 66.81 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.15 -52.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 60.84 54.09 3.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.3 p -178.99 64.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' O ' ' CD ' ' A' ' 80' ' ' ARG . . . -153.88 175.83 32.03 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.124 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.555 ' HG2' ' CE1' ' A' ' 15' ' ' TYR . 3.9 mpt_? -172.67 136.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 0.0 110.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.817 HD13 ' HB2' ' A' ' 54' ' ' ALA . 25.0 mm -79.23 141.65 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.559 ' CD1' HG13 ' A' ' 55' ' ' ILE . 92.4 m-85 -122.98 177.27 5.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.58 127.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.829 ' HB2' HD13 ' A' ' 92' ' ' LEU . 5.7 m-85 -119.1 155.77 30.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 95' ' ' PHE . 28.3 mtp180 -88.42 132.01 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -78.38 141.54 38.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.488 ' OD2' ' ND2' ' A' ' 93' ' ' ASN . 0.0 OUTLIER -100.43 -59.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.872 ' C ' HD12 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -177.1 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.49 ' N ' HD12 ' A' ' 88' ' ' LEU . . . -95.27 -149.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -101.82 45.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.69 150.27 38.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.371 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.829 HD13 ' HB2' ' A' ' 84' ' ' TYR . 13.5 mt -131.71 132.69 44.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.488 ' ND2' ' OD2' ' A' ' 87' ' ' ASP . 2.5 m-20 -110.65 132.95 21.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 131.28 14.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.496 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 0.9 OUTLIER -50.92 149.87 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.96 126.25 51.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.76 140.8 10.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -155.63 125.56 6.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.33 118.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.966 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -120.16 -164.09 12.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 158.66 42.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.6 t 62.03 104.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.1 p -60.83 -58.83 6.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -135.29 98.2 3.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -150.17 117.62 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.31 -133.52 20.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 67.86 157.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 p -164.76 171.55 14.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 105.07 167.54 24.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 2.9 mp0 66.53 -66.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' GLY . 5.0 mt-10 66.39 94.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -166.92 155.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 25' ' ' LYS . 2.7 m-85 -132.32 149.31 52.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.929 ' SG ' HG21 ' A' ' 35' ' ' ILE . 11.0 t -108.86 100.25 9.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.83 112.82 15.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.604 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 40.4 t -109.87 98.63 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.618 ' CE2' ' NE ' ' A' ' 80' ' ' ARG . 3.3 m-85 -72.09 104.99 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.689 HD11 ' CG2' ' A' ' 22' ' ' VAL . 10.5 mt -63.41 -58.09 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.657 HG21 ' HB2' ' A' ' 97' ' ' GLU . 15.4 p -115.21 -138.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -33.87 13.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -124.76 32.56 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.622 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -139.61 143.44 37.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 9.8 p90 -159.72 178.68 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.689 ' CG2' HD11 ' A' ' 16' ' ' ILE . 2.3 t -145.36 127.31 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.436 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -90.96 97.64 11.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.498 ' HB ' HG23 ' A' ' 35' ' ' ILE . 79.9 t -97.09 122.11 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 11' ' ' PHE . 3.1 tppt? -85.65 98.96 10.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.564 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -116.05 179.83 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -76.25 176.37 8.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.25 -10.92 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.519 ' O ' HD11 ' A' ' 69' ' ' LEU . 34.8 t -133.16 30.52 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.16 147.18 30.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' A' ' 33' ' ' GLN . 13.8 pt -82.04 164.89 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 1.005 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -62.05 -42.32 99.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.531 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.1 tp-100 -48.77 -43.27 37.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.767 ' O ' HG23 ' A' ' 38' ' ' VAL . 23.5 mt-10 -57.34 -24.22 53.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.929 HG21 ' SG ' ' A' ' 12' ' ' CYS . 6.5 mm -93.66 -50.73 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.781 HD21 ' O ' ' A' ' 47' ' ' GLU . 18.3 tp -50.85 -44.04 59.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.466 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.44 -31.09 68.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 34' ' ' GLU . 20.8 t -79.63 -64.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 43' ' ' ILE . 96.3 t -44.77 -53.64 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.08 -43.1 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 1.1 mm-40 -72.73 -44.61 61.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.632 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.23 -25.42 23.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 50' ' ' LEU . 1.6 pt -107.7 -18.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 40' ' ' ALA . 37.3 mt-30 75.06 57.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.518 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -133.87 -161.53 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -112.81 102.24 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.781 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.6 pt-20 -41.2 -42.7 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -58.19 -41.32 83.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 46' ' ' ALA . 35.0 m-20 -76.41 -6.95 53.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 43' ' ' ILE . 97.0 mt -107.53 176.42 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -163.87 147.57 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.005 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -83.16 114.5 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' TYR . 4.1 t -101.23 119.16 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.72 108.48 20.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mt -91.11 157.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.8 t -118.7 174.71 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.426 ' N ' ' OG1' ' A' ' 56' ' ' THR . 7.8 t80 -68.42 59.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' THR . 44.3 t -175.0 34.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' SER . . . 37.51 51.55 1.83 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -124.18 112.31 16.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 84' ' ' TYR . 2.5 mtmp? -70.58 139.41 51.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.95 117.01 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.29 153.23 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -132.63 -159.6 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -106.5 163.07 17.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -74.99 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.29 1.08 15.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.3 128.08 32.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.519 HD11 ' O ' ' A' ' 29' ' ' SER . 1.9 tp -52.5 149.81 5.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.444 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -111.7 4.03 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mp -112.91 -61.53 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.4 p 51.03 -165.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.11 -172.27 3.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.512 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -124.74 65.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 74' ' ' SER . 0.4 OUTLIER -120.17 32.11 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.38 160.05 40.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.78 178.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.1 p -39.59 -53.01 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.23 176.47 0.4 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.618 ' NE ' ' CE2' ' A' ' 15' ' ' TYR . 5.0 mtp180 -175.23 136.55 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 81' ' ' ILE . 2.9 mp -94.63 148.27 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' VAL . 48.8 m-85 -135.33 177.07 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 3.5 p -137.28 126.93 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.771 ' CB ' HD22 ' A' ' 92' ' ' LEU . 6.6 m-85 -121.75 156.22 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.483 ' HA ' HD23 ' A' ' 50' ' ' LEU . 1.5 tmt_? -85.21 115.84 23.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.429 ' HG2' HD21 ' A' ' 92' ' ' LEU . 7.8 mtpt -64.78 132.36 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.814 ' C ' HD23 ' A' ' 88' ' ' LEU . 20.3 m-20 -140.59 -169.5 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.865 ' N ' HD23 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -102.91 108.72 20.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 88' ' ' LEU . . . 178.24 -77.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.05 -44.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.7 m -93.24 161.35 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.771 HD22 ' CB ' ' A' ' 84' ' ' TYR . 6.3 mt -96.21 151.72 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -127.19 134.07 25.74 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -164.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -115.62 -172.07 2.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.7 136.58 37.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.657 ' HB2' HG21 ' A' ' 17' ' ' THR . 0.3 OUTLIER 170.96 172.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 26.1 t30 178.64 168.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 m 64.2 151.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.32 161.21 8.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -164.67 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -163.29 165.64 23.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.6 p -167.55 145.06 4.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.35 152.46 34.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 0.792 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.74 152.14 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.45 127.06 0.85 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -151.83 152.97 33.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 p -107.91 176.64 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.65 139.21 9.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.547 1.154 . . . . 0.0 111.052 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 60.15 75.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.2 145.44 46.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.662 HD13 ' CD1' ' A' ' 71' ' ' ILE . 1.3 tt -151.68 178.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.533 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 5.9 m-85 -121.39 137.73 54.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.668 ' SG ' HG21 ' A' ' 35' ' ' ILE . 9.0 t -111.2 121.89 46.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -90.66 113.84 25.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.623 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.606 HG11 HG21 ' A' ' 39' ' ' VAL . 2.0 t -117.32 99.62 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.516 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.3 m-85 -74.68 125.91 29.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.1 mt -86.49 -56.06 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 6.1 p -116.74 -137.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' HG3' ' CG ' ' A' ' 19' ' ' HIS . 10.1 pt-20 -85.72 -43.17 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CG ' ' HG3' ' A' ' 18' ' ' GLU . 7.6 m-70 -127.19 42.8 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.574 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.51 139.84 37.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.0 p90 -159.37 -178.48 7.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 39' ' ' VAL . 1.4 p -142.73 129.41 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 p -87.77 103.5 15.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.965 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 35' ' ' ILE . 60.6 t -105.47 124.28 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HE2' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -80.6 99.21 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.859 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -107.03 171.98 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -88.14 175.83 7.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.0 p -72.76 -12.34 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 t -141.47 42.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -91.19 154.5 19.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.735 HD12 ' HB3' ' A' ' 33' ' ' GLN . 10.9 pt -88.6 165.16 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.812 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -63.04 -42.25 99.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.735 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -48.22 -42.55 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 38' ' ' VAL . 39.4 mt-10 -57.28 -16.7 9.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.859 HD11 ' HB2' ' A' ' 26' ' ' ALA . 7.9 mm -102.69 -50.03 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.723 HD21 ' O ' ' A' ' 47' ' ' GLU . 13.6 tp -55.44 -39.26 70.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -63.41 -31.66 72.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.94 HG12 ' HE3' ' A' ' 42' ' ' LYS . 12.1 t -83.65 -53.81 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.606 HG21 HG11 ' A' ' 14' ' ' VAL . 74.2 t -50.17 -55.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.76 -48.4 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -44.13 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.94 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.43 -23.61 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.4 pt -110.32 -18.58 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ALA . 17.6 mt-30 78.91 55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.5 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -133.8 -161.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.52 103.67 11.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.723 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.7 pt-20 -45.39 -38.98 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 9.0 pt-20 -61.66 -34.46 75.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.4 m-20 -84.43 -4.48 58.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.529 ' CB ' HD11 ' A' ' 36' ' ' LEU . 96.0 mt -108.18 -179.75 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -169.01 149.78 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.812 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.4 mm? -83.7 117.32 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.512 HG21 ' CD1' ' A' ' 84' ' ' TYR . 96.8 t -106.33 126.69 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . . . -107.32 140.08 40.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.585 ' CG1' ' CE1' ' A' ' 82' ' ' TYR . 10.2 mm -111.34 125.79 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.634 HG22 ' HG2' ' A' ' 60' ' ' GLU . 10.2 t -89.3 178.73 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 58' ' ' SER . 6.9 p90 -61.29 -40.88 95.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.577 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -55.99 -22.08 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.21 -22.42 33.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.634 ' HG2' HG22 ' A' ' 56' ' ' THR . 1.3 pt-20 -61.9 153.57 28.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.775 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.559 ' CB ' ' CD1' ' A' ' 55' ' ' ILE . 3.8 ptmt -108.3 160.36 15.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 2.1 t60 -143.71 140.4 29.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -103.98 102.43 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -74.79 -162.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -109.8 163.62 16.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.4 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -109.67 -6.77 15.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' ALA . 11.6 t70 -68.28 138.57 55.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.71 143.9 54.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.45 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.29 36.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.662 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -159.3 57.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.3 p -155.74 152.72 28.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.22 108.55 14.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.727 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -64.71 -67.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.033 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.727 HD23 ' HB3' ' A' ' 74' ' ' SER . 0.5 OUTLIER -156.03 72.95 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.35 164.87 12.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.38 -60.72 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.7 p -155.54 155.77 33.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -157.5 -161.84 11.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.587 ' O ' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -150.18 126.69 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 9.0 mm -85.09 157.83 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 80' ' ' ARG . 75.4 m-85 -140.24 177.27 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 2.4 p -136.51 129.06 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.675 ' HB2' HD13 ' A' ' 92' ' ' LEU . 6.3 m-85 -119.16 159.57 23.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.49 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.17 149.23 21.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' HG2' HD21 ' A' ' 92' ' ' LEU . 59.5 mttt -106.53 116.09 31.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.73 -52.41 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.571 ' O ' HD23 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -170.17 158.92 7.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 63.4 -161.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.79 39.02 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -106.84 156.46 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.675 HD13 ' HB2' ' A' ' 84' ' ' TYR . 17.7 mt -138.18 139.36 39.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.413 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 1.6 m-20 -102.9 132.87 20.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.45 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.02 55.15 3.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER 40.18 -162.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 45.46 63.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -141.86 92.96 2.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.362 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 63.65 107.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.5 m -72.18 89.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -64.17 -148.01 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 110.63 3.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.93 93.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.061 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.2 t -65.87 86.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.5 167.71 19.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 p -153.14 158.36 41.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.982 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.62 -125.28 6.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -91.45 103.65 16.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.86 175.96 2.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.33 -50.54 2.29 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 61.7 63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.47 144.33 26.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.418 HG12 HD13 ' A' ' 71' ' ' ILE . 1.3 tt -165.83 178.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 17.3 m-85 -134.75 148.31 50.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.693 ' SG ' HG21 ' A' ' 35' ' ' ILE . 11.9 t -110.31 117.13 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -97.11 113.2 24.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.593 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 5.4 t -115.26 111.76 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.786 ' C ' HD13 ' A' ' 16' ' ' ILE . 5.1 m-85 -86.7 132.81 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.01 HD12 HG12 ' A' ' 83' ' ' VAL . 1.1 mm -93.46 -44.08 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.5 p -134.0 -139.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -89.78 -31.76 17.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -129.26 34.75 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -135.81 132.8 37.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.46 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.8 p90 -161.13 177.64 10.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.676 HG21 HG13 ' A' ' 39' ' ' VAL . 2.1 t -146.38 134.41 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.33 93.81 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.73 ' HB ' HG23 ' A' ' 35' ' ' ILE . 49.8 t -95.37 119.05 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 24.2 tttm -84.27 99.05 10.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.558 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -120.44 -179.46 3.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.95 176.82 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 p -83.52 -7.53 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.19 29.44 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -82.99 157.75 22.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.024 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 33' ' ' GLN . 12.1 pt -90.18 165.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 1.068 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -61.34 -43.9 98.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.648 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -47.34 -45.18 24.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 38' ' ' VAL . 41.6 mt-10 -56.0 -21.64 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.73 HG23 ' HB ' ' A' ' 24' ' ' VAL . 5.3 mm -99.74 -49.71 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.758 ' HB2' HD21 ' A' ' 52' ' ' LEU . 15.0 tp -55.31 -40.88 71.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -61.67 -31.98 72.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.707 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.7 t -81.93 -58.84 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.676 HG13 HG21 ' A' ' 22' ' ' VAL . 94.5 t -47.15 -54.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.68 -45.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.35 -44.94 70.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.707 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -52.53 -29.6 26.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.807 HD11 HD11 ' A' ' 50' ' ' LEU . 2.1 pt -103.19 -18.6 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.4 mt-30 77.28 55.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.504 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -133.57 -164.76 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.671 ' HB3' ' OD1' ' A' ' 49' ' ' ASP . . . -111.49 103.59 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.75 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.0 pt-20 -39.24 -35.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.58 -48.48 81.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.671 ' OD1' ' HB3' ' A' ' 46' ' ' ALA . 4.2 m-20 -72.7 -5.71 39.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.807 HD11 HD11 ' A' ' 43' ' ' ILE . 49.3 mt -107.51 175.4 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -168.83 148.69 4.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.068 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.3 mm? -83.38 114.88 21.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.649 HG21 ' CD1' ' A' ' 84' ' ' TYR . 22.4 t -104.14 110.0 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.531 ' HB2' HG12 ' A' ' 81' ' ' ILE . . . -100.83 112.18 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.522 HG23 ' C ' ' A' ' 60' ' ' GLU . 1.9 mt -97.44 152.95 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.1 t -114.39 178.85 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.369 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -43.68 166.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.93 -70.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 57' ' ' PHE . . . 149.04 87.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.522 ' C ' HG23 ' A' ' 55' ' ' ILE . 28.4 mt-10 -141.77 117.46 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 84' ' ' TYR . 10.6 mttp -70.17 147.74 49.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.03 110.63 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.43 147.38 23.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.53 -160.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -104.04 163.49 17.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.2 Cg_endo -75.05 -4.69 15.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.624 ' O ' HG22 ' A' ' 31' ' ' ILE . 7.4 t30 -111.0 -3.68 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -76.75 123.47 26.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ASP . 23.0 mt -40.41 152.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -100.79 -85.23 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.742 HG23 ' H ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -42.32 -70.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.742 ' H ' HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER 36.8 74.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.036 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -100.06 -70.58 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.478 ' O ' HD22 ' A' ' 75' ' ' LEU . 1.5 m 67.6 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 ' O ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -137.79 -56.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -43.05 160.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.17 179.85 7.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 m 69.52 164.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 107.78 161.25 21.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' O ' ' CE1' ' A' ' 82' ' ' TYR . 1.1 mpt_? -151.57 126.37 9.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.259 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.531 HG12 ' HB2' ' A' ' 54' ' ' ALA . 25.8 mt -91.29 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' VAL . 76.8 m-85 -142.85 177.71 8.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.01 HG12 HD12 ' A' ' 16' ' ' ILE . 8.5 p -130.41 135.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.649 ' CD1' HG21 ' A' ' 53' ' ' VAL . 8.4 m-85 -124.45 152.73 42.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.477 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -87.53 148.99 24.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -98.45 136.62 38.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -110.65 -169.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.649 ' H ' HD12 ' A' ' 88' ' ' LEU . 4.8 mp -60.16 -17.34 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.24 174.09 6.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.34 49.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.411 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -109.83 163.88 13.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 45.0 mt -142.23 130.03 21.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -128.36 148.49 68.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 132.3 15.23 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -64.46 164.13 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 49.42 80.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.45 134.45 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -124.18 150.57 45.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 t -95.06 -57.06 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -143.2 154.33 25.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 176.26 10.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.494 1.786 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.2 t -147.47 70.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.9 p -63.73 152.68 38.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.39 128.02 38.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.973 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 p -92.13 137.97 31.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.23 111.79 0.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 p -132.98 152.92 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 p -82.21 170.0 15.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.57 -69.83 0.37 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -100.22 55.41 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 0.807 . . . . 0.0 110.292 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -47.6 113.52 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.424 HD13 ' CG1' ' A' ' 71' ' ' ILE . 1.1 tt -174.58 151.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -131.65 162.87 29.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -124.69 103.02 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.628 ' CE1' ' HB3' ' A' ' 23' ' ' SER . 21.3 m-70 -88.96 107.77 19.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.803 HG22 HG13 ' A' ' 22' ' ' VAL . 1.9 m -102.75 126.39 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.597 ' O ' ' CD2' ' A' ' 82' ' ' TYR . 3.4 m-30 -97.2 118.31 33.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 20' ' ' SER . 2.1 mt -71.29 -61.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.0 p -111.32 -136.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -90.66 -36.73 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -126.04 34.68 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -139.13 132.87 30.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.463 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 22.8 p90 -160.88 171.79 18.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.843 HG11 HG13 ' A' ' 39' ' ' VAL . 1.8 p -149.38 126.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.628 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 1.5 p -84.43 155.42 22.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.566 ' HB ' HG23 ' A' ' 35' ' ' ILE . 94.8 t -147.67 130.83 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -69.44 98.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.678 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -100.8 -179.63 4.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -112.21 176.59 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.14 -6.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -148.99 41.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 69' ' ' LEU . 35.4 t -97.22 153.93 17.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.604 HD12 ' HB3' ' A' ' 33' ' ' GLN . 16.1 pt -90.38 166.89 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.809 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -66.79 -40.18 88.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.604 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.4 tp60 -49.9 -40.41 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.649 ' O ' HG23 ' A' ' 38' ' ' VAL . 59.1 mt-10 -62.0 -12.56 19.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.678 HD11 ' HB2' ' A' ' 26' ' ' ALA . 32.1 mm -102.29 -47.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.761 HD21 ' O ' ' A' ' 47' ' ' GLU . 15.2 tp -56.69 -42.74 79.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HE2' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -61.35 -30.24 70.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.693 HG12 ' CE ' ' A' ' 42' ' ' LYS . 19.3 t -83.25 -50.54 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.843 HG13 HG11 ' A' ' 22' ' ' VAL . 96.2 t -55.93 -52.84 44.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.31 -41.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -41.66 61.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.693 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.57 -31.55 69.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.705 HD11 HD11 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -102.04 -11.88 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ALA . 20.3 mt-30 66.36 62.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.527 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -138.66 -159.77 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.53 103.1 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.761 ' O ' HD21 ' A' ' 36' ' ' LEU . 11.1 pt-20 -44.14 -43.25 6.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -60.16 -31.82 70.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' ALA . 82.8 m-20 -86.5 -6.35 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.705 HD11 HD11 ' A' ' 43' ' ' ILE . 71.7 mt -106.99 -179.72 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -166.46 147.06 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.977 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -83.43 119.18 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.888 HG21 ' CD1' ' A' ' 84' ' ' TYR . 4.2 t -102.73 154.15 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.592 ' HB2' HD21 ' A' ' 64' ' ' LEU . . . -130.33 125.34 34.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.77 HD13 ' CB ' ' A' ' 61' ' ' LYS . 3.3 mm -97.11 138.53 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' SER . 8.1 t -93.83 166.79 12.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -66.31 69.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' THR . 8.4 m -177.84 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 55' ' ' ILE . . . 138.77 -37.14 1.82 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -47.72 137.37 9.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.77 ' CB ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -107.38 156.27 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.453 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 11.3 t60 -140.27 153.68 46.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.585 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -108.42 115.7 30.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.977 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -89.2 -160.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -109.81 163.51 16.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -1.86 11.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.594 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -112.41 -6.01 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.99 124.05 19.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 30' ' ' SER . 12.6 mt -60.94 131.15 49.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.428 HG21 ' CG1' ' A' ' 35' ' ' ILE . 1.1 m -104.41 73.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.424 ' CG1' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -172.2 -41.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.2 147.82 29.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.1 120.11 38.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 t -47.7 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.09 42.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -118.64 115.35 24.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.65 96.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.37 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.73 94.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.01 -155.11 27.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -174.31 136.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 18.5 mm -99.16 150.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 8.9 m-85 -135.12 175.87 9.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 p -140.94 123.23 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.92 ' HB2' HD13 ' A' ' 92' ' ' LEU . 22.0 m-85 -118.21 166.2 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.4 OUTLIER -97.97 148.49 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -104.7 117.96 35.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.26 -55.92 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.567 ' CD1' ' C ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -174.74 174.19 2.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . 48.15 -175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -87.43 53.76 2.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.7 p -125.79 157.71 36.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.92 HD13 ' HB2' ' A' ' 84' ' ' TYR . 8.5 mt -129.45 -59.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 62.68 140.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.09 30.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 21.5 m-85 -59.87 172.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.99 178.51 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.46 102.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -128.64 137.9 51.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.2 p -92.18 140.19 29.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.32 155.33 26.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 63.22 6.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.809 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.1 t -68.65 111.4 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.9 p -101.65 81.44 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -159.04 89.35 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m 76.59 -59.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.98 70.48 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -131.42 97.45 4.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.48 142.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.55 134.44 51.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.01 65.34 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.34 119.6 18.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 26' ' ' ALA . 7.0 tt -171.1 156.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -128.58 163.28 25.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 t -126.18 106.12 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 108.31 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -84.21 117.84 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.461 HG11 HG11 ' A' ' 39' ' ' VAL . 55.7 t -116.7 99.65 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.449 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.5 m-85 -76.34 133.07 40.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.686 ' CD1' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -93.2 -62.66 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.5 p -104.77 -134.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -98.53 -24.39 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -136.4 39.31 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -139.86 136.56 34.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -160.24 173.51 15.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.535 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 4.9 t -133.54 139.17 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.4 p -101.21 87.29 3.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.579 HG11 HG23 ' A' ' 35' ' ' ILE . 71.8 t -92.97 141.13 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -95.2 98.7 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 1.025 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -102.98 162.02 13.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -77.23 176.34 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.87 -10.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m -144.58 41.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.408 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -87.89 149.94 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.659 HD12 ' HB3' ' A' ' 33' ' ' GLN . 14.1 pt -88.88 163.9 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 1.014 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -64.73 -40.21 94.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.659 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.8 tp-100 -48.56 -43.86 36.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.749 ' O ' HG23 ' A' ' 38' ' ' VAL . 39.0 mt-10 -56.66 -35.4 68.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 1.025 HD11 ' HB2' ' A' ' 26' ' ' ALA . 8.9 mm -85.46 -39.08 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.821 ' HB2' HD21 ' A' ' 52' ' ' LEU . 17.3 tp -56.83 -46.91 81.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' CB ' ' OE2' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -57.91 -31.48 66.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.9 t -80.21 -65.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.461 HG11 HG11 ' A' ' 14' ' ' VAL . 83.7 t -44.19 -52.86 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.24 -44.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -71.94 -45.19 62.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.538 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.41 -28.16 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.54 HD11 HD11 ' A' ' 50' ' ' LEU . 1.4 pt -104.52 -18.98 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' ALA . 26.6 mt-30 75.94 58.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.516 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -136.23 -160.72 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.83 104.07 11.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.709 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.2 pt-20 -44.93 -41.9 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -59.34 -33.56 71.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' ALA . 1.3 m-20 -87.71 -3.66 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.692 HD23 ' HA ' ' A' ' 85' ' ' ARG . 77.6 mt -107.34 -179.8 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -173.83 141.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.014 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.6 mm? -83.59 117.1 22.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.678 HG12 ' HG3' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -114.36 127.73 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' HIS . . . -97.49 154.55 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.49 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.4 mt -133.1 154.39 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 t -100.51 171.86 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' SER . 17.0 t80 -54.01 -60.16 3.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -39.21 -62.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.31 72.25 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 55' ' ' ILE . 38.1 mt-10 -141.06 125.36 17.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -71.88 148.69 45.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -151.03 115.52 5.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.571 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.863 ' CD ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -91.23 154.62 19.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.898 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -130.83 -156.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -112.43 163.15 18.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.49 14.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.596 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -109.89 -2.22 17.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' ILE . 7.3 t70 -70.45 154.71 41.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.77 141.23 37.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -109.01 36.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 72' ' ' SER . 1.9 pp -140.1 -47.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.421 ' N ' HD12 ' A' ' 71' ' ' ILE . 3.2 t -62.69 138.01 58.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -144.56 -177.49 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.652 ' C ' HD13 ' A' ' 75' ' ' LEU . 3.7 m -63.47 -92.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -166.2 30.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.65 32.39 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 60.99 175.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.64 98.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -120.78 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.91 110.67 5.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.529 HD12 ' N ' ' A' ' 81' ' ' ILE . 4.2 mp -107.43 157.95 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 41.0 m-85 -148.42 176.19 10.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 1.9 p -131.84 130.57 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.659 ' HB2' HD13 ' A' ' 92' ' ' LEU . 5.6 m-85 -118.45 154.44 32.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.692 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -94.88 133.53 38.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.473 ' HG2' HD21 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -73.41 158.0 35.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -127.47 -171.21 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.755 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.9 mm? -41.02 -31.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.08 -165.26 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.86 39.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.61 154.3 17.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.863 HD12 ' CD ' ' A' ' 63' ' ' GLU . 36.8 mt -131.69 137.88 48.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -127.42 150.44 72.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 111.85 3.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -44.33 166.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.62 171.31 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 71.59 70.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -174.62 149.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.7 p -65.86 147.25 53.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.53 157.94 28.84 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.5 5.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.75 168.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -90.85 -58.1 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m 62.53 107.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.66 158.04 39.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.16 -165.27 22.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.13 157.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.951 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -121.21 121.56 38.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.02 69.23 0.21 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -124.46 111.57 15.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.26 137.48 40.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 tt -165.1 169.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -126.73 142.35 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.791 ' SG ' HG21 ' A' ' 35' ' ' ILE . 21.5 t -112.02 86.65 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -72.27 124.42 25.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.748 HG11 HG21 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -115.84 111.86 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -82.35 112.63 19.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.158 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.507 HD11 ' CG2' ' A' ' 22' ' ' VAL . 9.5 mt -71.72 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.438 ' HG1' ' CB ' ' A' ' 20' ' ' SER . 82.2 p -108.93 -137.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.25 -37.1 12.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -124.06 32.66 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.549 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.438 ' CB ' ' HG1' ' A' ' 17' ' ' THR . 1.7 m -139.4 137.89 36.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.565 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 15.4 p90 -160.43 175.63 12.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.582 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 2.7 t -138.26 128.42 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -92.3 109.01 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.639 ' HB ' HG23 ' A' ' 35' ' ' ILE . 91.7 t -106.32 108.92 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.59 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -77.41 98.2 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.551 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -115.47 -179.87 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -75.96 176.38 7.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.596 HG23 ' CD1' ' A' ' 71' ' ' ILE . 9.9 p -82.97 -3.51 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -132.64 24.05 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.055 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -82.8 141.76 32.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.496 HD12 ' HB3' ' A' ' 33' ' ' GLN . 12.8 pt -82.69 163.9 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.93 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -58.41 -42.75 87.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.4 tp-100 -50.09 -42.15 49.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.6 mm-40 -62.36 -12.72 22.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.817 HG13 HG21 ' A' ' 70' ' ' VAL . 11.0 mm -102.46 -53.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.753 HD21 ' O ' ' A' ' 47' ' ' GLU . 15.1 tp -49.12 -40.48 32.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.65 -30.74 70.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.703 HG12 ' HE2' ' A' ' 42' ' ' LYS . 13.2 t -80.51 -62.04 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.748 HG21 HG11 ' A' ' 14' ' ' VAL . 88.1 t -45.48 -55.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -38.84 -43.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.25 -44.85 62.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.703 ' HE2' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.28 -29.58 33.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.519 HD11 HD11 ' A' ' 50' ' ' LEU . 1.7 pt -103.92 -18.63 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 40' ' ' ALA . 39.5 mt-30 75.13 57.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.519 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -131.38 -160.52 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.511 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -112.96 99.16 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.753 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.5 pt-20 -41.42 -42.66 2.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.38 -40.02 81.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.511 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 78.5 m-20 -79.43 -5.2 54.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CB ' HD11 ' A' ' 36' ' ' LEU . 44.0 mt -106.49 -179.16 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -168.04 148.43 4.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.93 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -83.42 120.94 26.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.777 HG21 ' CD1' ' A' ' 84' ' ' TYR . 22.1 t -107.57 146.65 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.89 132.25 56.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.613 HD13 ' CA ' ' A' ' 61' ' ' LYS . 1.2 mm -120.16 102.19 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.589 HG22 ' HB2' ' A' ' 60' ' ' GLU . 8.9 t -62.61 155.95 24.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.676 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 42.8 p90 -57.19 98.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 57' ' ' PHE . 0.9 OUTLIER 154.86 -68.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 154.05 66.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.589 ' HB2' HG22 ' A' ' 56' ' ' THR . 21.5 mt-10 -145.15 103.88 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.613 ' CA ' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -81.1 146.54 30.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 13.3 t60 -144.42 158.32 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.05 130.69 55.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -109.09 -157.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -110.22 162.77 19.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -74.98 -4.87 16.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -113.59 21.95 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.99 126.5 35.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' VAL . 4.2 mm? -63.95 91.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.817 HG21 HG13 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -38.24 -44.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.596 ' CD1' HG23 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -61.12 -53.81 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.48 ' N ' HG23 ' A' ' 71' ' ' ILE . 29.1 t -46.32 152.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.58 118.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.91 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -174.18 134.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -177.75 145.11 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.37 111.73 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t 51.11 96.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.07 129.59 9.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -132.19 113.18 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.75 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 40.4 mm -80.72 147.0 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.541 ' CE1' HG13 ' A' ' 55' ' ' ILE . 8.1 m-85 -123.81 174.93 7.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 3.5 p -141.47 120.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.777 ' CD1' HG21 ' A' ' 53' ' ' VAL . 5.7 m-85 -111.86 162.59 15.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.516 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -109.06 124.42 50.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -72.61 123.98 24.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -178.55 141.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 88' ' ' LEU . 16.9 mt 61.22 120.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 52.27 -174.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -97.16 48.79 1.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 92' ' ' LEU . 8.9 t -114.96 -160.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.453 ' N ' ' OG1' ' A' ' 91' ' ' THR . 15.9 mt -139.44 -68.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m120 68.6 137.84 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.61 41.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.463 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 8.3 m-85 -68.06 172.05 6.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 95' ' ' PHE . . . 69.32 80.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -141.17 165.84 26.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -56.09 104.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.7 t -171.05 169.56 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.76 168.3 53.49 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.16 42.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.95 167.0 11.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.04 -58.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 111.047 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -147.97 -59.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m 63.39 128.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.55 -163.16 39.05 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -175.59 160.19 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.62 164.1 10.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.3 -111.1 3.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.57 100.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.728 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -120.17 139.11 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.463 HD13 HD11 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -176.46 171.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -124.61 157.78 34.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.86 ' SG ' HG21 ' A' ' 35' ' ' ILE . 15.3 t -120.15 104.03 9.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 108.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -77.7 107.48 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.581 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.587 HG11 HG21 ' A' ' 39' ' ' VAL . 2.2 t -113.64 108.22 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 3.6 m-85 -83.28 129.21 34.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.6 mt -87.92 -56.42 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.0 p -114.27 -138.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 17' ' ' THR . 3.1 tp10 -90.86 -32.03 16.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -132.54 38.64 3.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.549 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.53 140.36 37.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.04 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.3 p90 -158.61 -178.79 7.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.805 HG11 HG22 ' A' ' 39' ' ' VAL . 2.4 p -142.18 130.76 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.9 p -91.87 92.63 8.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 22' ' ' VAL . 57.9 t -97.7 135.33 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -79.0 98.84 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.548 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -99.22 179.46 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.66 176.54 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.572 ' HA ' HD13 ' A' ' 71' ' ' ILE . 2.2 p -73.68 -11.72 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.884 ' HA ' HD21 ' A' ' 69' ' ' LEU . 26.8 t -145.36 44.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.5 t -97.8 147.88 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.916 HG22 ' O ' ' A' ' 67' ' ' ASN . 17.3 pt -85.31 166.52 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 1.005 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -65.0 -43.27 93.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.501 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -46.78 -43.66 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.7 mm-40 -56.83 -25.24 55.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.86 HG21 ' SG ' ' A' ' 12' ' ' CYS . 13.9 mm -97.61 -48.87 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.732 HD21 ' O ' ' A' ' 47' ' ' GLU . 16.2 tp -54.76 -41.43 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -60.91 -32.95 72.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 34' ' ' GLU . 15.1 t -80.38 -61.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.805 HG22 HG11 ' A' ' 22' ' ' VAL . 69.9 t -43.42 -54.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.37 -43.99 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.92 -43.23 62.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.695 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -55.9 -23.02 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.515 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.6 pt -110.89 -17.6 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.1 mt-30 74.74 58.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.515 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -134.2 -160.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.17 101.3 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.732 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.3 pt-20 -43.03 -41.19 3.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.95 -39.18 84.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -80.25 -3.93 51.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' ' 85' ' ' ARG . 75.7 mt -107.2 -179.83 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -174.64 139.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.005 HD12 ' HB1' ' A' ' 32' ' ' ALA . 96.4 mt -82.66 113.89 20.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.559 HG12 ' HG3' ' A' ' 63' ' ' GLU . 1.1 m -113.24 114.68 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.766 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . . . -89.73 148.16 23.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.2 mt -127.79 155.41 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.659 HG22 ' HG2' ' A' ' 60' ' ' GLU . 7.0 t -109.49 -173.95 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' A' ' 58' ' ' SER . 13.7 p90 -70.06 -45.42 67.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.587 ' N ' ' CG ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -49.69 -32.32 13.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.985 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.8 66.51 0.9 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.057 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.659 ' HG2' HG22 ' A' ' 56' ' ' THR . 6.2 pt-20 -138.4 132.12 30.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -78.56 147.51 33.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.83 111.01 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.61 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.921 ' CD ' HD12 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -90.35 124.72 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 64' ' ' LEU . 2.0 mm? -85.84 -125.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.742 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 11.9 mt-30 -156.76 171.44 7.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.742 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.96 11.39 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.916 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -127.6 -37.78 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -44.29 123.6 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.884 HD21 ' HA ' ' A' ' 29' ' ' SER . 1.5 tp -53.36 146.98 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.554 HG11 HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -109.13 40.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.572 HD13 ' HA ' ' A' ' 28' ' ' VAL . 1.4 tt -138.79 -49.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 t -50.56 131.63 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' O ' ' CE ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -170.09 111.09 0.42 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.8 m -102.9 -73.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.98 -52.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -48.67 -47.79 40.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -125.54 122.92 37.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.67 171.23 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.7 -93.66 0.69 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.573 ' HG2' ' CE1' ' A' ' 15' ' ' TYR . 2.9 mpt_? -148.31 124.03 10.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 0.749 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.766 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 32.3 mm -76.05 138.86 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 15' ' ' TYR . 68.1 m-85 -121.83 161.81 22.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 2.0 p -128.31 132.81 67.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.533 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 6.2 m-85 -120.01 152.99 36.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.589 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -96.28 122.69 39.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -64.01 152.2 40.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 89' ' ' ALA . 1.6 m-20 168.32 -69.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.49 HD12 ' OD1' ' A' ' 93' ' ' ASN . 17.4 mt -69.3 64.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ASP . . . 63.6 -161.87 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -26.44 60.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -53.41 172.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.921 HD12 ' CD ' ' A' ' 63' ' ' GLU . 41.1 mt -140.93 137.65 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.49 ' OD1' HD12 ' A' ' 88' ' ' LEU . 0.8 OUTLIER -112.38 143.4 28.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 131.42 14.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -56.63 172.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 47.58 73.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.15 -63.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.37 140.21 57.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.5 p -75.88 134.25 40.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.24 115.56 1.19 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.99 38.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.9 p -170.82 94.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -149.34 98.73 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.058 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.28 113.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -165.74 140.3 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.76 128.5 2.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 6' ' ' SER . 1.0 OUTLIER 171.87 158.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.986 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.0 OUTLIER 80.0 123.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.23 -167.49 54.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.576 ' HB3' HG13 ' A' ' 28' ' ' VAL . 19.6 mp0 -41.25 -64.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 39.35 72.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.417 HG21 ' HA ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -136.61 146.72 28.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 6.8 m-85 -125.86 137.35 53.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -98.53 111.99 24.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 108.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -78.75 111.51 14.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.592 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.601 HG11 HG11 ' A' ' 39' ' ' VAL . 2.3 t -108.52 99.12 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -79.77 113.12 17.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.4 mt -66.77 -59.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.745 HG22 ' HB2' ' A' ' 20' ' ' SER . 7.0 t -127.17 -132.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.585 ' N ' HG23 ' A' ' 17' ' ' THR . 2.4 tp10 -73.3 -77.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 4.2 m170 -101.84 47.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.745 ' HB2' HG22 ' A' ' 17' ' ' THR . 2.1 m -140.07 136.71 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.83 -177.67 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.95 HG11 HG13 ' A' ' 39' ' ' VAL . 2.7 p -150.17 123.56 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -75.78 124.39 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.687 HG11 HG23 ' A' ' 35' ' ' ILE . 69.5 t -124.56 121.74 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 17.1 tttt -91.3 98.73 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.516 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -118.42 -179.81 3.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' O ' HD13 ' A' ' 71' ' ' ILE . 20.9 mmtt -79.39 160.42 26.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.576 HG13 ' HB3' ' A' ' 8' ' ' GLU . 32.4 m -66.74 -12.5 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -130.07 32.62 4.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -84.14 154.47 23.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 33' ' ' GLN . 10.8 pt -89.24 163.2 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.919 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -56.93 -42.66 80.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.6 tp-100 -50.66 -43.42 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.68 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.0 mm-40 -56.47 -17.65 8.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.687 HG23 HG11 ' A' ' 24' ' ' VAL . 7.2 mm -100.16 -48.02 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.792 HD21 ' O ' ' A' ' 47' ' ' GLU . 14.4 tp -56.05 -40.84 74.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.478 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -62.66 -28.87 70.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 34' ' ' GLU . 12.9 t -85.62 -55.37 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.95 HG13 HG11 ' A' ' 22' ' ' VAL . 48.5 t -51.83 -53.42 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' TYR . . . -38.91 -46.34 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.29 -40.48 70.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.676 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -64.49 -17.31 63.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.928 HD11 HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -114.87 -4.66 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' ALA . 18.7 mt-30 62.36 64.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.487 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -146.61 -166.98 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.589 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -112.52 104.85 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.792 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.5 pt-20 -36.79 -46.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.97 -47.21 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.589 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 58.4 m-20 -69.41 -9.78 55.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.928 HD21 HD11 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -103.53 179.57 4.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HB2' ' HE3' ' A' ' 86' ' ' LYS . . . -167.68 143.47 3.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.919 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -81.97 114.22 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' A' ' 84' ' ' TYR . 18.9 t -99.71 129.62 50.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.67 131.46 54.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.863 HD13 ' HA ' ' A' ' 61' ' ' LYS . 6.2 mm -110.92 112.86 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -63.3 163.47 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' SER . 4.6 t80 -48.16 -63.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PHE . 66.7 m -39.36 -71.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.59 71.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -149.91 118.0 6.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.863 ' HA ' HD13 ' A' ' 55' ' ' ILE . 2.5 ptpp? -76.06 155.55 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -151.27 148.04 27.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.38 112.87 25.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.709 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -92.22 -160.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -107.29 163.93 15.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.3 Cg_endo -74.95 -1.99 11.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.78 11.4 19.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.12 113.86 24.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 30' ' ' SER . 11.1 mt -42.77 148.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.406 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.81 -17.43 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.468 HD13 ' O ' ' A' ' 27' ' ' LYS . 4.2 mt -121.64 68.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.1 175.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.47 123.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.585 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -129.05 40.34 3.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 74' ' ' SER . 6.0 mp -140.6 -58.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -40.41 -67.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -146.7 -70.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 t 41.58 90.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.89 -55.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.41 121.94 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.45 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 15.8 mt -106.04 158.3 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.667 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 19.2 m-85 -144.11 174.88 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -129.64 125.37 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.485 ' CD2' ' C ' ' A' ' 93' ' ' ASN . 4.3 m-85 -112.82 173.94 6.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' HG3' ' CE1' ' A' ' 95' ' ' PHE . 20.6 mtp180 -107.02 139.16 41.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.345 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.511 ' HE3' ' HB2' ' A' ' 51' ' ' ALA . 61.6 mttt -97.57 116.92 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.6 -152.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 88' ' ' LEU . 1.3 mp -85.62 -2.51 58.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.17 124.25 48.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.09 -33.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -61.18 160.39 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 92' ' ' LEU . 11.9 mt -103.71 -45.11 4.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.485 ' C ' ' CD2' ' A' ' 84' ' ' TYR . 5.2 m-80 62.68 133.35 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.99 6.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.421 ' CE1' ' HG3' ' A' ' 85' ' ' ARG . 3.7 m-85 -89.85 -170.52 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 55.79 -175.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.06 -58.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -117.12 149.88 39.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.2 p -70.81 155.25 41.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.7 157.8 23.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.38 38.9 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.95 -64.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.2 m -90.49 165.45 13.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.15 -57.79 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p 43.26 79.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.53 103.56 0.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.434 1.084 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -118.1 174.51 6.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -129.68 163.84 25.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.37 79.83 0.24 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 111.057 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -173.45 64.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -90.12 132.5 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.654 HD13 HD11 ' A' ' 71' ' ' ILE . 0.3 OUTLIER -158.29 170.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -120.64 151.29 39.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.594 ' SG ' HG21 ' A' ' 35' ' ' ILE . 43.3 t -118.12 98.47 6.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -73.84 110.42 8.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.644 HG11 HG11 ' A' ' 39' ' ' VAL . 1.5 t -110.93 99.21 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.66 110.39 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mt -67.26 -57.19 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 8.6 p -117.63 -136.37 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' OG1' ' A' ' 17' ' ' THR . 3.6 tt0 -95.9 -31.78 12.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -126.23 32.74 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -139.25 137.7 36.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 5.3 p90 -160.21 177.02 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.549 HG11 HG13 ' A' ' 39' ' ' VAL . 2.5 p -146.5 131.13 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.33 91.39 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.472 ' HB ' HG23 ' A' ' 35' ' ' ILE . 99.5 t -92.94 130.54 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -72.64 98.79 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.613 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -101.18 179.05 4.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.482 ' O ' HG21 ' A' ' 71' ' ' ILE . 3.8 mmtp -117.7 177.88 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.23 4.56 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.519 ' HA ' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -151.02 24.8 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -87.72 148.38 24.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.884 HG22 ' O ' ' A' ' 67' ' ' ASN . 21.9 pt -88.87 170.2 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 1.114 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -66.55 -43.22 85.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 1.9 tp-100 -48.76 -38.87 23.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.0 mm-40 -61.08 -20.64 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 26' ' ' ALA . 23.0 mm -98.81 -47.0 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.845 ' HB2' HD21 ' A' ' 52' ' ' LEU . 16.9 tp -55.43 -42.84 74.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.34 -31.99 70.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.976 HG12 ' HE3' ' A' ' 42' ' ' LYS . 15.2 t -82.94 -61.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.644 HG11 HG11 ' A' ' 14' ' ' VAL . 73.7 t -44.55 -52.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -42.27 -47.22 4.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -70.42 -43.33 70.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.976 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.32 -29.46 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.51 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.3 pt -105.65 -16.93 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ALA . 19.4 mt-30 76.05 55.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.51 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -131.34 -161.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.1 104.19 12.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.808 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -43.17 -44.5 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -58.69 -35.41 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' ALA . 4.3 m-20 -80.15 -7.41 58.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.685 ' CB ' HD11 ' A' ' 36' ' ' LEU . 86.5 mt -107.79 -179.6 3.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HB1' ' CG ' ' A' ' 63' ' ' GLU . . . -171.26 141.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.114 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -83.05 124.34 30.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.667 HG21 ' CE1' ' A' ' 84' ' ' TYR . 1.5 m -125.93 127.22 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.402 ' HB1' ' HA ' ' A' ' 77' ' ' ALA . . . -89.82 136.63 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.685 HD13 ' CB ' ' A' ' 61' ' ' LYS . 2.6 mm -104.53 108.24 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 60' ' ' GLU . 10.3 t -62.85 164.08 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -46.62 -65.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.58 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.0 67.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' H ' HG22 ' A' ' 56' ' ' THR . 37.6 mt-10 -144.38 113.05 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.756 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.685 ' CB ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -77.26 147.4 36.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -143.75 110.28 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.626 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.569 ' CG ' ' HB1' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -66.44 120.26 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.3 mm? -79.51 -119.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.693 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 9.4 mt-30 -158.5 169.78 10.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.693 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.03 7.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.884 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.5 t30 -126.21 -33.86 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -46.93 110.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' A' ' 29' ' ' SER . 1.8 tp -41.62 150.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -109.75 29.69 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.654 HD11 HD13 ' A' ' 10' ' ' ILE . 10.1 tt -168.58 69.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.16 123.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 0.0 OUTLIER 170.64 150.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -67.49 -81.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mp -139.94 85.2 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -172.82 -61.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 73' ' ' LYS . . . -84.89 -29.33 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.3 p -65.1 87.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.29 -89.18 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -148.54 121.69 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mm -86.71 142.31 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.596 ' CE1' HG13 ' A' ' 55' ' ' ILE . 5.4 m-85 -120.64 177.35 5.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 7.1 p -147.37 122.59 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.722 ' HB2' HD13 ' A' ' 92' ' ' LEU . 3.4 m-85 -112.76 175.91 5.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.66 132.45 44.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.738 ' HG2' HD21 ' A' ' 92' ' ' LEU . 18.0 mtpt -96.15 110.92 23.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 163.89 -171.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 88' ' ' LEU . 12.1 mt 61.12 -99.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 91' ' ' THR . . . -108.18 163.77 12.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -49.15 -23.41 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.615 HG22 ' H ' ' A' ' 92' ' ' LEU . 13.5 m -62.79 178.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.738 HD21 ' HG2' ' A' ' 86' ' ' LYS . 6.3 mt -117.65 -38.55 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.474 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 2.1 m-80 62.34 129.78 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo -74.94 55.13 3.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER 38.8 -159.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 48.09 88.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -93.74 133.19 37.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -57.32 158.78 5.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -105.54 166.2 10.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.024 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 146.42 156.91 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.14 4.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -74.53 105.08 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.51 162.65 37.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -110.76 146.83 35.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 0.733 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.12 108.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.18 153.92 16.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -172.61 165.38 5.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.19 149.84 40.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.89 -85.09 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 41.57 52.19 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.71 104.87 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.755 HG21 HD12 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -157.16 160.03 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.522 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -130.95 161.99 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.792 ' SG ' HG21 ' A' ' 35' ' ' ILE . 5.5 t -122.35 97.1 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.61 ' CE1' ' HB3' ' A' ' 23' ' ' SER . 27.8 m-70 -84.43 109.99 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.708 HG22 HG13 ' A' ' 22' ' ' VAL . 2.4 m -108.18 128.13 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.483 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.5 m-30 -97.51 119.61 36.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' SER . 9.2 mt -72.17 -58.8 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.8 p -113.83 -138.23 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' HG3' ' CE1' ' A' ' 19' ' ' HIS . 4.6 pt-20 -89.53 -35.48 15.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.506 ' CE1' ' HG3' ' A' ' 18' ' ' GLU . 7.9 m-70 -127.8 35.8 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.614 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -139.59 134.23 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.953 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 24.2 p90 -160.96 172.48 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.121 HG11 HG13 ' A' ' 39' ' ' VAL . 2.5 p -148.41 122.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.61 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 1.9 p -83.04 149.57 26.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.693 ' HB ' HG23 ' A' ' 35' ' ' ILE . 92.6 t -140.37 128.46 24.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 2.8 tptt -83.65 99.17 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -115.78 -179.8 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.6 175.56 8.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.913 ' HA ' HD13 ' A' ' 71' ' ' ILE . 15.9 m -75.64 -12.38 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.592 ' HA ' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -129.85 26.82 5.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.537 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -79.63 149.6 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 67' ' ' ASN . 16.0 pt -89.59 165.49 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 1.033 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -61.6 -42.98 99.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.9 tp-100 -48.57 -42.85 34.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.667 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.0 mm-40 -59.37 -15.42 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.871 HG13 HG21 ' A' ' 70' ' ' VAL . 5.6 mm -100.94 -53.94 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.846 HD11 ' CB ' ' A' ' 50' ' ' LEU . 19.2 tp -50.8 -41.74 57.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.88 -30.21 70.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.706 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.8 t -84.69 -50.52 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.121 HG13 HG11 ' A' ' 22' ' ' VAL . 94.2 t -54.63 -51.92 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.7 -45.54 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.33 -39.77 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.706 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -63.85 -19.03 64.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.767 HD11 HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -117.63 0.82 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ALA . 31.4 mt-30 54.89 64.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.519 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -143.21 -162.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -115.23 107.55 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.777 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.8 pt-20 -46.43 -41.6 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -60.23 -25.25 65.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ALA . 82.6 m-20 -93.22 -6.77 46.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.846 ' CB ' HD11 ' A' ' 36' ' ' LEU . 77.4 mt -107.54 -179.59 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.72 143.79 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.033 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -84.07 114.3 21.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.715 HG11 ' CD1' ' A' ' 92' ' ' LEU . 2.4 m -117.58 122.67 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.25 154.31 18.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.5 HG13 ' CD1' ' A' ' 82' ' ' TYR . 1.9 mt -124.1 156.14 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 57' ' ' PHE . 7.4 t -109.31 -174.0 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.442 ' N ' ' OG1' ' A' ' 56' ' ' THR . 18.7 t80 -67.61 -55.02 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -34.67 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.97 85.69 1.89 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -157.1 128.15 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -77.67 148.56 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -150.96 110.23 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.573 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.416 ' CG ' HG12 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -78.91 116.02 18.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.4 mm? -74.71 -123.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.718 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 16.3 mt-30 -159.03 170.41 8.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.718 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.01 8.49 2.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.686 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -125.71 -35.07 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.485 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -43.74 103.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.592 HD21 ' HA ' ' A' ' 29' ' ' SER . 1.5 tp -41.71 148.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.871 HG21 HG13 ' A' ' 35' ' ' ILE . 11.2 m -117.65 67.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.913 HD13 ' HA ' ' A' ' 28' ' ' VAL . 2.4 tt -168.1 -45.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -89.42 -34.91 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.93 150.56 46.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.948 ' O ' HD12 ' A' ' 75' ' ' LEU . 3.3 m 62.21 72.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.948 HD12 ' O ' ' A' ' 74' ' ' SER . 3.3 mp -145.39 90.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.49 -54.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.46 90.65 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 39.91 59.31 1.95 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.9 159.84 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.149 . . . . 0.0 111.048 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.484 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -151.98 126.93 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.347 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.581 HD12 ' N ' ' A' ' 81' ' ' ILE . 3.2 mp -100.93 151.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 9.2 m-85 -140.77 166.39 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 HG11 ' A' ' 39' ' ' VAL . 4.1 p -130.48 123.92 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.909 ' HB2' HD13 ' A' ' 92' ' ' LEU . 4.7 m-85 -115.26 174.51 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.17 138.53 37.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 24.8 mttt -86.47 115.39 23.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 86' ' ' LYS . 1.1 m-20 159.26 -171.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.684 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 10.8 mt 67.37 58.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . 82.7 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.98 -45.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.3 m -42.58 164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 110.403 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.909 HD13 ' HB2' ' A' ' 84' ' ' TYR . 7.7 mt -98.15 -54.82 2.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.29 136.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.15 36.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -62.26 -170.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 58.63 97.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -126.74 123.74 38.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 51.98 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.73 155.64 16.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.996 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.56 -118.66 1.97 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.79 26.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.9 p -144.8 162.69 36.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.4 p -179.37 152.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.87 -57.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.19 85.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.24 105.11 0.28 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -172.12 120.75 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.747 . . . . 0.0 109.966 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -160.53 100.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.8 -125.61 35.36 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.06 117.47 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -123.87 105.13 9.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.472 HG21 ' HA ' ' A' ' 28' ' ' VAL . 12.2 tt -155.38 160.07 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.4 m-85 -133.86 138.35 45.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -95.74 111.43 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 108.29 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -81.33 113.48 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.624 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.84 HG11 HG11 ' A' ' 39' ' ' VAL . 2.9 t -115.56 98.47 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.461 ' O ' HG12 ' A' ' 83' ' ' VAL . 3.3 m-85 -71.56 141.05 50.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.1 mt -101.22 -56.54 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -113.8 -138.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -89.62 -34.81 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -131.8 38.84 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -138.9 141.66 38.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -159.12 178.78 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.589 HG21 ' CB ' ' A' ' 42' ' ' LYS . 11.6 p -136.62 135.83 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.2 p -90.42 105.99 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.864 HG11 HG23 ' A' ' 35' ' ' ILE . 92.2 t -105.82 121.98 58.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -93.09 99.25 11.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -119.04 -179.5 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' N ' ' OG ' ' A' ' 30' ' ' SER . 13.6 mmtm -72.42 176.3 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.472 ' HA ' HG21 ' A' ' 10' ' ' ILE . 12.3 p -81.02 -15.43 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.4 t -132.12 32.8 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -80.96 155.43 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.645 HD12 ' HB3' ' A' ' 33' ' ' GLN . 15.7 pt -85.94 167.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.957 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -68.44 -44.98 73.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.645 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -43.42 -46.7 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.741 ' O ' HG23 ' A' ' 38' ' ' VAL . 26.8 mt-10 -52.55 -44.02 65.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.864 HG23 HG11 ' A' ' 24' ' ' VAL . 6.5 mm -66.62 -40.48 86.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.57 ' HG ' HD21 ' A' ' 52' ' ' LEU . 1.7 mt -52.02 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 34' ' ' GLU . 3.9 pttt -42.51 -31.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 34' ' ' GLU . 41.4 t -80.41 -63.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.84 HG11 HG11 ' A' ' 14' ' ' VAL . 84.5 t -52.41 -54.28 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.511 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . . . -35.51 -48.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.6 OUTLIER -74.08 -50.55 19.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.641 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -47.51 -25.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.904 HD11 HD11 ' A' ' 50' ' ' LEU . 2.2 pt -108.18 -23.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' ALA . 35.3 mt-30 80.73 56.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -137.15 -161.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.14 108.64 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.511 ' OE1' ' CB ' ' A' ' 40' ' ' ALA . 3.6 pm0 -46.78 -40.32 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' CG ' ' OD1' ' A' ' 49' ' ' ASP . 5.9 pt-20 -59.76 -24.37 64.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -99.07 -7.43 26.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.904 HD11 HD11 ' A' ' 43' ' ' ILE . 93.9 mt -106.29 -179.75 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.427 ' HB1' ' CG ' ' A' ' 63' ' ' GLU . . . -173.77 143.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.957 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.5 mm? -81.25 116.44 21.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' TYR . 2.3 t -110.86 109.85 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.497 ' HB2' HG13 ' A' ' 81' ' ' ILE . . . -104.14 131.72 51.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.445 HD13 ' HG2' ' A' ' 61' ' ' LYS . 2.1 mt -123.82 156.28 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -107.98 174.88 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -65.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -59.28 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.79 85.69 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 55' ' ' ILE . 32.1 mt-10 -137.14 117.66 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.529 ' HE2' ' CZ ' ' A' ' 84' ' ' TYR . 2.9 mmtp -74.06 138.57 44.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.19 110.18 3.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' CG ' ' HB1' ' A' ' 51' ' ' ALA . 1.9 tm-20 -87.81 -4.18 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.3 OUTLIER 38.0 -154.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -120.98 163.22 30.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.65 10.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.489 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -114.88 -2.08 13.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 153.01 40.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.9 mt -75.36 144.68 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.52 HG13 ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -108.32 19.49 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 72' ' ' SER . 2.9 mp -125.2 -69.92 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 71' ' ' ILE . 24.5 p 38.53 58.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.19 102.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -162.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.78 52.79 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -161.67 72.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 57.12 177.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.1 t -125.77 144.58 50.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -92.93 -171.11 40.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.471 ' O ' ' CE2' ' A' ' 82' ' ' TYR . 1.5 mtm180 -128.25 110.79 12.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.497 HG13 ' HB2' ' A' ' 54' ' ' ALA . 3.6 mp -77.88 148.06 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.471 ' CE2' ' O ' ' A' ' 80' ' ' ARG . 96.3 m-85 -135.69 174.66 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 15' ' ' TYR . 1.4 p -134.74 130.79 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.666 ' HB3' HD22 ' A' ' 92' ' ' LEU . 9.8 m-85 -125.04 164.24 20.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 95' ' ' PHE . 4.9 mpp_? -93.49 142.6 27.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ASP . 1.6 mtpt -103.61 130.29 51.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 88' ' ' LEU . 16.9 p-10 -132.74 -143.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.767 HD22 ' N ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -92.35 34.99 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' ASP . . . -149.9 114.15 5.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' ALA . 14.9 t70 -40.02 -51.51 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -47.77 159.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 84' ' ' TYR . 18.1 mt -118.81 139.17 52.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -107.89 147.63 35.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.79 28.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 1.5 m-85 -87.5 -175.51 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.55 -172.59 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 58.48 169.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -155.0 160.74 41.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.0 107.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.3 167.69 12.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 97.73 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.5 p -155.12 143.13 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.955 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.7 103.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -146.2 -56.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -114.9 165.61 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.06 141.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.87 -62.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -87.45 173.68 8.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.6 149.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' OE1' ' CD ' ' A' ' 27' ' ' LYS . 2.9 mp0 64.77 54.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -61.6 102.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.439 ' CD1' HG13 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -170.85 154.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.02 147.28 50.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.802 ' SG ' HG21 ' A' ' 35' ' ' ILE . 12.5 t -110.34 92.98 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 108.291 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -71.19 119.8 15.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.694 HG11 HG11 ' A' ' 39' ' ' VAL . 43.8 t -113.9 98.7 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.96 107.4 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.426 HD11 ' CG2' ' A' ' 22' ' ' VAL . 9.8 mt -66.16 -55.75 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.0 p -119.49 -140.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' N ' ' OG1' ' A' ' 17' ' ' THR . 2.7 tp10 -91.26 -32.17 15.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -126.57 33.98 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.603 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.37 137.78 36.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -159.46 173.72 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.535 HG11 ' HG2' ' A' ' 42' ' ' LYS . 2.9 t -142.69 133.89 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 96.57 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.777 HG11 HG23 ' A' ' 35' ' ' ILE . 94.7 t -93.83 119.78 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -88.55 98.24 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.584 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -112.81 -179.76 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' CD ' ' OE1' ' A' ' 8' ' ' GLU . 17.1 mmtm -80.2 173.13 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.8 m -76.76 -7.95 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.85 18.75 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.549 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -73.35 146.47 45.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.797 HG22 ' O ' ' A' ' 67' ' ' ASN . 14.1 pt -89.85 167.13 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 1.095 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -59.93 -44.02 94.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -48.63 -44.41 37.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.657 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.5 mm-40 -59.12 -15.36 13.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.942 HG13 HG21 ' A' ' 70' ' ' VAL . 3.8 mm -102.12 -52.59 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.775 ' HB2' HD21 ' A' ' 52' ' ' LEU . 14.2 tp -52.45 -40.32 62.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.466 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -63.61 -29.93 71.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.73 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.5 t -85.2 -54.3 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.694 HG11 HG11 ' A' ' 14' ' ' VAL . 40.8 t -52.97 -53.67 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.39 -44.7 0.44 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -46.71 53.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.73 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.17 -21.24 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.756 HD11 HD11 ' A' ' 50' ' ' LEU . 1.7 pt -110.48 -20.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ALA . 22.8 mt-30 78.23 58.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.504 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -138.3 -162.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.649 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -113.67 107.41 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.721 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -47.61 -42.18 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.52 -20.97 63.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.649 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 75.4 m-20 -97.79 -6.36 32.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.756 HD11 HD11 ' A' ' 43' ' ' ILE . 89.5 mt -108.1 179.84 4.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.39 143.09 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.095 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -83.88 118.46 23.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.614 HG21 ' CE1' ' A' ' 84' ' ' TYR . 1.9 m -119.48 123.29 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.55 156.74 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 1.7 mt -125.89 156.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.2 t -113.69 169.57 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.9 83.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 169.26 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.99 67.41 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -140.12 112.22 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 3.6 mttt -73.23 147.35 44.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.84 110.04 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.02 118.12 20.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.4 mm? -76.91 -122.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.705 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 17.5 mt-30 -157.9 170.15 9.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.705 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.94 10.96 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.797 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.7 t30 -128.91 -36.71 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.486 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -41.13 116.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 69' ' ' LEU . 14.3 mt -50.86 144.29 8.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.942 HG21 HG13 ' A' ' 35' ' ' ILE . 12.1 m -113.3 50.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.439 HG13 ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -171.66 -44.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.8 t -116.81 140.85 48.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -161.39 79.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.566 ' CB ' HD13 ' A' ' 75' ' ' LEU . 0.4 OUTLIER 70.49 -69.34 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.566 HD13 ' CB ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -157.36 28.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.6 155.78 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.92 -66.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.16 164.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.82 -170.29 23.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -131.53 110.21 10.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 0.721 . . . . 0.0 110.32 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.5 mm -88.03 148.27 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -133.6 177.22 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -144.68 129.09 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.865 ' HB2' HD13 ' A' ' 92' ' ' LEU . 5.8 m-85 -121.28 169.62 10.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.408 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -94.08 139.37 31.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.562 ' HG2' HD21 ' A' ' 92' ' ' LEU . 1.3 mtpt -105.9 128.8 54.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -134.41 -148.94 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 88' ' ' LEU . 1.5 mm? -71.19 -10.81 60.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.39 114.14 28.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -40.24 11.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 92' ' ' LEU . 1.5 m -50.33 179.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.865 HD13 ' HB2' ' A' ' 84' ' ' TYR . 15.0 mt -132.56 137.48 47.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -120.16 137.92 26.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 130.15 13.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.429 ' HZ ' HD22 ' A' ' 50' ' ' LEU . 68.9 m-85 -45.72 -60.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.54 91.39 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -47.27 168.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -79.51 160.17 26.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.21 139.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 134.7 -117.1 1.71 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 158.13 42.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.0 t 64.15 143.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.3 t -152.2 111.88 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.4 -59.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.3 76.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.45 102.87 2.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.01 79.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.944 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -62.1 -74.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.71 -104.94 3.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -115.19 -7.61 12.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 7.1 pt-20 -91.82 113.54 25.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.731 HG21 HD13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -135.39 179.29 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -134.63 135.45 42.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.742 ' SG ' HG21 ' A' ' 35' ' ' ILE . 35.6 t -108.0 121.67 45.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.35 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.609 ' CE1' ' HB2' ' A' ' 23' ' ' SER . 67.8 m-70 -108.21 121.01 43.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 39' ' ' VAL . 1.1 m -112.37 122.91 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 80' ' ' ARG . 3.4 m-30 -90.57 116.48 28.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 21' ' ' TYR . 1.7 mp -71.68 -55.1 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.478 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 77.4 p -117.91 -137.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.08 -40.31 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -123.72 33.01 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.478 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 3.1 m -136.87 135.83 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.533 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 29.2 p90 -160.69 176.66 11.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.734 HG21 HG13 ' A' ' 39' ' ' VAL . 2.4 t -132.51 133.8 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 2.2 p -95.46 109.24 21.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.552 HG21 HG23 ' A' ' 39' ' ' VAL . 51.8 t -107.79 144.73 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 11.6 tttt -111.09 98.78 7.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.574 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -124.05 -179.55 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -88.75 175.68 7.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -77.12 -14.51 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.499 ' O ' HD11 ' A' ' 69' ' ' LEU . 8.0 t -113.27 7.36 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.533 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -72.75 128.36 35.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 67' ' ' ASN . 16.0 pt -67.44 164.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.956 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -60.69 -43.41 97.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.463 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.0 tp-100 -48.86 -40.23 28.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.5 mm-40 -59.55 -15.51 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.742 HG21 ' SG ' ' A' ' 12' ' ' CYS . 6.1 mm -101.76 -51.69 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 52' ' ' LEU . 14.3 tp -53.72 -40.09 65.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -62.81 -30.23 71.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.812 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.7 t -83.29 -58.65 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG11 HG21 ' A' ' 14' ' ' VAL . 81.2 t -47.8 -55.08 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.28 -44.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -69.69 -44.78 69.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.812 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -52.34 -29.18 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.514 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.2 pt -104.49 -18.64 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.7 mt-30 76.69 55.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.645 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -131.05 -162.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.599 ' HB3' ' CG ' ' A' ' 49' ' ' ASP . . . -111.43 101.39 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.736 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.2 pt-20 -42.64 -43.85 4.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.63 -35.02 71.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.599 ' CG ' ' HB3' ' A' ' 46' ' ' ALA . 13.9 m-20 -79.91 -14.16 58.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -102.88 -179.65 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.06 150.08 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.956 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -82.13 110.57 17.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 82' ' ' TYR . 16.4 t -102.93 109.9 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.64 117.63 33.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.2 mt -94.32 158.33 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.61 HG22 ' HG2' ' A' ' 60' ' ' GLU . 8.2 t -114.54 177.75 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.64 -55.66 32.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.18 -31.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.95 67.22 0.94 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.61 ' HG2' HG22 ' A' ' 56' ' ' THR . 3.1 pt-20 -146.2 132.68 19.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.404 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -71.23 149.54 46.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.84 130.13 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.565 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.96 141.73 36.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -123.27 -159.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.29 162.98 19.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -75.04 -5.33 16.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.625 ' O ' HG22 ' A' ' 31' ' ' ILE . 29.6 m-20 -110.45 -3.07 16.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.6 130.02 40.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 69' ' ' LEU . 1.5 tp -55.63 148.1 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.83 45.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.731 HD13 HG21 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -172.57 -171.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.53 ' N ' HG23 ' A' ' 71' ' ' ILE . 0.5 OUTLIER 65.89 126.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.59 144.95 50.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.4 m -57.64 -70.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.98 -51.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -49.29 127.31 14.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.93 73.41 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.43 153.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 149.17 179.62 25.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -167.76 133.83 2.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 0.744 . . . . 0.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.419 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.3 mp -91.95 153.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 12.4 m-85 -135.89 176.27 8.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.617 HG23 ' HB3' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -139.89 113.1 5.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.74 ' CB ' HD22 ' A' ' 92' ' ' LEU . 6.2 m-85 -107.42 174.19 5.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.524 ' O ' HD23 ' A' ' 92' ' ' LEU . 30.8 mtm105 -105.11 138.43 41.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -89.08 120.0 30.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -167.06 130.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 88' ' ' LEU . 19.3 mt 61.51 110.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 55.9 -164.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.82 44.89 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -99.3 174.63 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.74 HD22 ' CB ' ' A' ' 84' ' ' TYR . 55.2 mt -148.95 130.92 15.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.3 148.72 40.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.7 6.74 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -41.74 159.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.82 -76.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.84 142.18 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t30 173.28 92.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -80.86 -58.28 3.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.66 -172.93 53.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.5 38.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.2 p -160.79 150.89 17.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.96 -60.05 1.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.045 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -76.1 156.41 33.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.777 . . . . 0.0 109.97 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -122.98 110.86 15.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.84 73.66 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p 179.69 144.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -72.53 79.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.82 120.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.12 54.72 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.47 ' O ' HG22 ' A' ' 10' ' ' ILE . 2.8 mt-10 -93.13 -80.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER 56.24 164.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.532 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 12.9 m-85 -135.42 155.54 50.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -112.66 101.35 9.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 108.319 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -71.26 109.69 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.587 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 39' ' ' VAL . 2.1 t -106.56 105.84 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.515 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 4.1 m-85 -85.43 117.39 24.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 mt -73.77 -60.42 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.532 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 71.7 p -112.84 -135.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.583 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 12.7 pt-20 -95.57 -34.26 12.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 90.8 m-70 -125.71 34.17 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.532 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 1.5 m -139.84 141.12 36.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 3.6 p90 -159.05 -178.61 7.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.702 HG11 HG13 ' A' ' 39' ' ' VAL . 2.3 p -153.71 137.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 p -88.74 131.42 35.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.708 HG11 HG23 ' A' ' 35' ' ' ILE . 56.4 t -128.7 116.24 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -82.11 98.82 8.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -116.26 179.94 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -71.11 176.45 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.0 p -79.58 -5.07 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.2 m -144.57 34.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.966 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.482 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -76.92 157.21 31.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.049 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 33' ' ' GLN . 13.8 pt -96.64 162.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.817 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -58.73 -45.1 90.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.489 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.5 tp-100 -45.52 -48.69 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.901 ' O ' HG23 ' A' ' 38' ' ' VAL . 40.6 mt-10 -57.83 -29.65 65.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.708 HG23 HG11 ' A' ' 24' ' ' VAL . 10.3 mm -83.64 -40.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.909 ' HB2' HD21 ' A' ' 52' ' ' LEU . 15.8 tp -56.61 -51.53 68.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.507 ' CB ' ' OE2' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -55.47 -31.61 62.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 34' ' ' GLU . 41.6 t -79.79 -65.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 14' ' ' VAL . 97.7 t -45.6 -53.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -37.66 -44.25 0.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.02 -44.8 60.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.622 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -55.53 -21.77 18.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.732 HD11 HD11 ' A' ' 50' ' ' LEU . 1.3 pt -111.89 -16.3 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 40' ' ' ALA . 23.9 mt-30 73.46 58.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -138.17 -162.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.99 107.68 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.719 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -45.49 -44.48 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.89 -25.73 65.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ALA . 2.6 m-20 -90.38 -6.66 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 43' ' ' ILE . 62.6 mt -107.31 169.05 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB3' HD11 ' A' ' 92' ' ' LEU . . . -153.12 133.33 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.909 HD21 ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -83.7 118.71 24.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.834 HG12 ' HA ' ' A' ' 63' ' ' GLU . 5.7 m -133.31 133.26 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -94.95 157.45 15.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.54 HG13 ' CD1' ' A' ' 82' ' ' TYR . 3.1 mt -127.8 157.1 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 t -109.33 166.91 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -48.66 -55.61 10.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.78 -65.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.66 72.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 55' ' ' ILE . 52.6 mt-10 -146.15 130.61 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 3.3 mtmm -80.2 144.08 33.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -140.87 111.9 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.834 ' HA ' HG12 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -85.76 149.85 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -127.16 -154.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -108.16 163.1 17.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.446 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -74.96 -2.91 13.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.488 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -112.99 -4.51 13.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.58 125.07 25.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.1 mt -53.72 142.13 24.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -108.14 19.02 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -150.49 109.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 p -179.6 166.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt 56.83 90.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 m -60.77 -66.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.54 65.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -158.54 47.46 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -155.03 -61.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.62 80.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 80' ' ' ARG . . . -171.49 -132.97 1.56 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 79' ' ' GLY . 3.8 mtt180 166.8 153.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 54' ' ' ALA . 47.4 mm -85.9 145.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CD1' HG13 ' A' ' 55' ' ' ILE . 63.1 m-85 -140.74 138.85 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.446 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 8.0 p -104.82 153.93 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.846 ' HB2' HD12 ' A' ' 92' ' ' LEU . 54.5 m-85 -155.44 175.97 13.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -91.47 124.1 35.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.17 134.46 52.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.7 OUTLIER 165.44 -69.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.7 HD13 ' HB2' ' A' ' 93' ' ' ASN . 1.3 mt -51.64 90.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' ASP . . . 37.22 -153.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -64.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 88' ' ' LEU . 7.4 m -46.68 165.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.355 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.846 HD12 ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -112.26 -170.48 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.705 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -164.66 155.01 12.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.611 ' HA ' ' CD1' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 124.48 8.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 8.6 m-85 -44.52 -83.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -85.52 -173.47 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -145.08 131.65 19.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.06 147.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.8 t -176.85 155.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.37 117.69 11.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 152.37 40.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.14 120.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.66 113.17 25.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -110.77 96.73 6.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.34 -59.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.18 77.13 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.49 -61.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.996 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -86.19 139.94 30.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.79 -154.0 0.45 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HB2' HG11 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -124.22 23.48 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.316 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 56.64 95.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.713 HG21 HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -150.72 180.0 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -134.94 148.09 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.909 ' SG ' HG21 ' A' ' 35' ' ' ILE . 10.8 t -113.25 115.54 28.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -90.57 121.85 32.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.463 HG11 HG11 ' A' ' 39' ' ' VAL . 23.0 t -120.07 98.62 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.4 m-85 -70.07 113.1 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.517 HD11 ' CG2' ' A' ' 22' ' ' VAL . 12.0 mt -72.42 -60.9 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.483 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 66.9 p -106.83 -135.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.79 -33.16 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -128.22 35.87 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.483 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 3.4 m -139.3 143.08 37.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -159.17 -178.58 7.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.58 HG11 ' HG2' ' A' ' 42' ' ' LYS . 4.1 t -142.64 141.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.0 p -100.54 91.21 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.568 ' HB ' HG23 ' A' ' 35' ' ' ILE . 90.6 t -90.79 123.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.5 98.91 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.571 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -117.84 -179.79 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -74.42 176.45 6.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.41 HG11 ' HB2' ' A' ' 8' ' ' GLU . 11.2 p -80.44 -7.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 t -139.72 31.45 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -76.43 160.06 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.987 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 67' ' ' ASN . 13.2 pt -92.59 166.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 1.044 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -60.78 -43.5 98.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.525 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -48.62 -43.31 36.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 38' ' ' VAL . 25.7 mm-40 -58.07 -20.75 41.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.909 HG21 ' SG ' ' A' ' 12' ' ' CYS . 4.5 mm -101.12 -48.27 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.768 ' HB2' HD21 ' A' ' 52' ' ' LEU . 13.0 tp -56.44 -39.48 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -62.49 -31.13 71.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.957 HG12 ' HE3' ' A' ' 42' ' ' LYS . 12.5 t -83.61 -56.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.463 HG11 HG11 ' A' ' 14' ' ' VAL . 95.0 t -48.59 -54.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.39 -49.25 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -69.1 -44.6 72.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.957 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -51.93 -29.62 20.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 50' ' ' LEU . 2.5 pt -104.17 -18.71 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ALA . 34.7 mt-30 78.61 55.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -132.41 -160.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.611 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -114.57 103.94 11.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.737 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -45.33 -42.91 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -60.12 -31.1 69.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.611 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 44.8 m-20 -88.11 -3.88 58.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.628 ' HB3' HD11 ' A' ' 36' ' ' LEU . 80.9 mt -108.03 177.1 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HB1' ' CG ' ' A' ' 63' ' ' GLU . . . -168.49 144.88 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.044 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.5 mm? -83.13 119.11 24.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 61' ' ' LYS . 75.0 t -107.68 109.65 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.711 ' CB ' HD21 ' A' ' 64' ' ' LEU . . . -88.77 143.99 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.626 HD13 ' HA ' ' A' ' 61' ' ' LYS . 4.1 mm -115.73 146.04 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -120.57 -178.59 3.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.433 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -44.9 166.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.24 -72.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.2 68.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -126.8 124.11 38.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.626 ' HA ' HD13 ' A' ' 55' ' ' ILE . 7.5 mttt -90.32 148.67 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -149.97 126.25 10.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.547 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.606 ' HG3' HD11 ' A' ' 92' ' ' LEU . 1.2 tt0 -89.08 115.52 26.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.711 HD21 ' CB ' ' A' ' 54' ' ' ALA . 2.5 mm? -75.36 -123.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.699 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 7.7 mt-30 -157.86 170.65 8.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.699 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.99 8.37 2.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.683 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -123.66 -34.32 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.457 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -50.47 125.34 12.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 30' ' ' SER . 20.7 mt -50.25 152.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.461 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.9 -14.61 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.713 HD13 HG21 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -150.52 106.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.9 p 179.83 175.08 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.64 -173.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.75 46.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -117.88 24.72 10.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 3.2 mt-10 -124.28 -66.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . 66.24 143.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.9 p 45.16 91.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.987 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.81 -166.43 14.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.102 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.89 141.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 81' ' ' ILE . 4.3 mp -110.33 158.66 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.468 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 96.2 m-85 -140.55 176.91 8.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 2.5 p -134.09 128.04 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.785 ' HB2' HD13 ' A' ' 92' ' ' LEU . 5.1 m-85 -116.56 170.06 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 4.4 ttm105 -97.18 120.71 38.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.615 ' HE3' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -60.08 163.54 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.53 -166.52 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.87 ' N ' HD23 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -102.89 60.81 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -174.52 -156.54 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.76 26.73 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.69 161.4 19.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.785 HD13 ' HB2' ' A' ' 84' ' ' TYR . 7.5 mt -125.02 -50.85 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 64.86 133.88 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -178.48 4.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -102.77 178.28 4.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 53.75 173.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.56 -60.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.62 155.59 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.2 m -48.32 140.13 7.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 121.14 -145.61 17.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 157.86 42.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.2 p -135.67 -58.21 0.77 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 84.1 p -47.22 129.76 12.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.562 1.164 . . . . 0.0 110.973 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 m -155.14 -57.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.53 165.64 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.55 103.29 0.18 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -129.83 169.59 14.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.759 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.79 155.58 33.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.054 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.56 85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -134.3 -68.0 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 61.53 110.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tt -171.94 156.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -135.64 147.28 48.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 35' ' ' ILE . 38.1 t -108.9 95.34 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.412 ' HB2' ' NH1' ' A' ' 80' ' ' ARG . 35.6 m-70 -80.71 111.74 17.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.725 HG22 HG13 ' A' ' 22' ' ' VAL . 3.2 m -108.39 128.71 63.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.563 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.9 m-30 -95.67 115.06 26.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' SER . 2.7 mt -64.45 -56.54 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.413 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 71.0 p -118.83 -134.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.2 -37.98 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.25 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -125.52 35.39 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.58 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' ILE . 1.5 m -139.77 137.03 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 24.4 p90 -160.63 171.27 19.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.037 HG11 HG13 ' A' ' 39' ' ' VAL . 2.5 p -144.5 122.97 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -76.23 147.42 38.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.802 HG11 HG23 ' A' ' 35' ' ' ILE . 38.1 t -139.25 127.36 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 tttt -91.31 98.46 11.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.617 ' HB1' ' CB ' ' A' ' 30' ' ' SER . . . -120.94 178.94 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -80.49 171.08 15.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.96 -13.4 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.414 ' HA ' HD11 ' A' ' 69' ' ' LEU . 6.3 t -126.21 26.95 6.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.617 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -82.09 129.09 34.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.679 HD12 ' HB3' ' A' ' 33' ' ' GLN . 8.5 pt -70.55 163.7 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.712 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -57.74 -40.79 80.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.679 ' HB3' HD12 ' A' ' 31' ' ' ILE . 10.1 tp60 -51.24 -44.19 61.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.692 ' O ' HG23 ' A' ' 38' ' ' VAL . 50.2 mm-40 -60.59 -15.37 27.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.903 HG13 HG21 ' A' ' 70' ' ' VAL . 5.4 mm -97.12 -50.43 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.914 HD11 ' CB ' ' A' ' 50' ' ' LEU . 21.3 tp -52.04 -45.65 64.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -58.53 -27.71 64.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.7 HG12 ' CE ' ' A' ' 42' ' ' LYS . 19.9 t -85.8 -48.56 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.037 HG13 HG11 ' A' ' 22' ' ' VAL . 95.8 t -57.74 -51.98 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.77 -46.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -39.42 74.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.875 ' HB3' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -62.81 -20.26 64.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.556 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -120.23 5.77 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' ALA . 29.0 mt-30 50.07 62.73 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.556 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -135.84 -161.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -116.67 105.3 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.765 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.7 pt-20 -44.09 -47.26 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.1 -26.91 61.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.533 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 49.9 m-20 -91.51 -4.53 55.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.914 ' CB ' HD11 ' A' ' 36' ' ' LEU . 81.1 mt -107.12 168.73 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.725 ' HB3' HD11 ' A' ' 92' ' ' LEU . . . -153.32 136.81 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.843 HD21 ' HB2' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -82.42 111.62 18.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.769 HG21 ' HB2' ' A' ' 92' ' ' LEU . 59.5 t -115.56 131.84 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -105.21 156.5 18.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.571 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.4 mt -126.86 157.87 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -107.6 168.96 8.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -46.25 -58.3 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 63.4 m -44.42 -65.5 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.91 74.58 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -145.75 123.45 11.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 0.771 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 7.3 mtmt -70.87 141.7 51.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -139.16 112.13 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.83 132.7 35.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -114.55 -159.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -105.67 163.63 16.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.55 3.07 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -77.12 112.05 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -47.8 131.26 14.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.903 HG21 HG13 ' A' ' 35' ' ' ILE . 4.1 m -93.68 24.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 mm -131.25 -74.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -52.25 164.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.93 80.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.431 ' HB2' HD23 ' A' ' 75' ' ' LEU . 14.4 p -46.0 -62.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 74' ' ' SER . 0.6 OUTLIER -167.91 53.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -124.66 -44.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 78' ' ' SER . . . 59.69 -173.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER 163.48 -70.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.38 -42.54 1.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 13' ' ' HIS . 1.2 mmp_? -157.84 138.64 13.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.416 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 42.7 mm -87.32 159.21 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' HG13 ' A' ' 55' ' ' ILE . 33.8 m-85 -141.03 142.8 34.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.54 HG11 HG11 ' A' ' 39' ' ' VAL . 3.4 p -110.68 152.63 12.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.866 ' HB2' HD12 ' A' ' 92' ' ' LEU . 57.3 m-85 -154.35 177.54 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.576 ' HG2' ' CE1' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -99.0 117.94 34.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -59.07 128.38 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.23 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 93' ' ' ASN . 1.3 mt -68.98 84.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . 39.2 -155.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -56.84 -73.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.431 ' C ' ' CD2' ' A' ' 92' ' ' LEU . 8.1 m -41.61 163.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.866 HD12 ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -111.38 -171.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.69 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 5.1 m120 -161.72 152.42 14.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.568 ' HA ' ' CD1' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -75.03 132.92 15.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.576 ' CE1' ' HG2' ' A' ' 85' ' ' ARG . 33.8 m-85 -53.43 177.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.32 130.46 50.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -55.24 166.92 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 58.45 159.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.22 124.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.66 160.64 14.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 99.56 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t 77.97 -59.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.71 95.79 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.056 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 71' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 7.8 m-85 -134.98 150.94 50.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' SG ' HG21 ' A' ' 35' ' ' ILE . 36.3 t -111.35 124.4 52.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.08 . . . . 0.0 108.287 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -88.18 119.92 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.543 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.626 HG11 HG11 ' A' ' 39' ' ' VAL . 2.4 t -121.62 106.63 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.481 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 m-85 -81.65 122.36 27.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.0 mt -82.13 -57.16 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.49 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 68.6 p -113.81 -139.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -36.37 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -130.06 37.65 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.622 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.49 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 3.8 m -139.2 145.31 39.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.97 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 0.8 OUTLIER -159.48 -178.51 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.996 HG11 HG13 ' A' ' 39' ' ' VAL . 2.8 p -143.38 123.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 p -78.11 119.61 21.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.518 HG11 HG23 ' A' ' 35' ' ' ILE . 74.0 t -118.99 130.11 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -97.35 99.59 11.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -123.17 179.08 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -73.57 176.04 6.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.236 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.19 -11.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.408 ' O ' HD11 ' A' ' 69' ' ' LEU . 33.1 t -134.8 32.87 3.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.4 138.84 33.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 67' ' ' ASN . 14.2 pt -67.7 164.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.845 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -60.64 -44.23 96.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.502 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -47.85 -42.84 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.727 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.1 mm-40 -56.8 -20.68 23.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.518 HG23 HG11 ' A' ' 24' ' ' VAL . 6.1 mm -97.28 -47.05 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.704 ' HB2' HD21 ' A' ' 52' ' ' LEU . 15.0 tp -55.31 -42.73 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.14 -29.87 70.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 34' ' ' GLU . 17.4 t -82.88 -56.97 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.996 HG13 HG11 ' A' ' 22' ' ' VAL . 65.6 t -52.21 -53.04 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -37.65 -47.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -43.32 64.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.709 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.92 -17.95 41.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.842 HD11 HD11 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -111.79 -15.73 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' ALA . 40.2 mt-30 73.92 59.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.506 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -143.38 -161.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -116.11 108.46 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.69 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.3 pt-20 -46.37 -41.83 14.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -60.7 -28.9 68.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -91.78 -4.53 54.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.842 HD11 HD11 ' A' ' 43' ' ' ILE . 89.6 mt -108.35 176.76 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -162.92 147.77 11.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.845 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.1 mm? -83.79 116.27 22.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.792 HG22 ' OE2' ' A' ' 63' ' ' GLU . 54.6 t -102.09 112.2 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.35 119.27 32.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.4 mt -115.28 154.89 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -107.5 177.13 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.84 -56.95 15.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.75 -44.64 3.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.05 77.85 0.83 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 55' ' ' ILE . 17.3 mt-10 -143.42 122.92 13.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.556 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 0.9 OUTLIER -71.6 142.77 49.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.75 142.12 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.574 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.792 ' OE2' HG22 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -119.33 147.6 44.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.36 -157.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -105.9 163.11 17.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.03 16.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.584 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -107.94 -4.53 17.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -73.98 138.69 44.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 69' ' ' LEU . 1.7 tp -59.3 156.12 13.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.476 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.68 -41.65 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 10' ' ' ILE . 4.2 tt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 52.1 mt -86.79 158.64 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 77.6 m-85 -138.18 177.53 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 3.1 p -136.63 127.7 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.765 ' CD1' HG21 ' A' ' 53' ' ' VAL . 5.8 m-85 -118.31 160.44 21.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -93.3 124.63 37.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -166.23 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 20.9 m-85 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -130.97 143.37 50.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.494 ' SG ' HG21 ' A' ' 35' ' ' ILE . 42.4 t -107.71 102.91 12.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -73.7 118.83 17.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.563 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.625 HG11 HG11 ' A' ' 39' ' ' VAL . 2.3 t -119.21 102.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.517 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 m-85 -77.64 127.64 32.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.8 mt -87.67 -54.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.9 p -117.02 -139.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.517 ' HG3' ' CG ' ' A' ' 19' ' ' HIS . 10.5 pt-20 -85.54 -42.94 13.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.243 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.517 ' CG ' ' HG3' ' A' ' 18' ' ' GLU . 8.2 m170 -125.77 35.38 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -134.26 143.64 47.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -159.38 -178.34 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.928 HG11 HG13 ' A' ' 39' ' ' VAL . 2.7 p -144.06 122.19 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -74.87 128.14 34.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.648 HG11 HG23 ' A' ' 35' ' ' ILE . 96.6 t -130.02 122.92 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -92.16 98.8 11.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.703 ' HB1' ' CB ' ' A' ' 30' ' ' SER . . . -112.39 -179.83 3.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -82.41 176.44 9.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.2 m -74.04 -19.22 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.49 ' HA ' HD11 ' A' ' 69' ' ' LEU . 27.3 t -121.39 16.04 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.703 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -62.09 144.14 55.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.596 HG21 ' ND2' ' A' ' 67' ' ' ASN . 10.3 pt -88.62 164.23 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 1.022 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -57.73 -40.2 79.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.512 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -53.93 -41.06 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.64 ' O ' HG23 ' A' ' 38' ' ' VAL . 36.6 mt-10 -59.2 -15.07 12.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.648 HG23 HG11 ' A' ' 24' ' ' VAL . 6.6 mm -103.44 -48.03 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.677 HD13 HD13 ' A' ' 52' ' ' LEU . 13.2 tp -57.6 -39.24 76.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HE2' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.32 -30.28 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.738 HG12 ' CE ' ' A' ' 42' ' ' LYS . 12.2 t -84.79 -52.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.928 HG13 HG11 ' A' ' 22' ' ' VAL . 62.9 t -54.94 -52.64 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -38.24 -46.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -42.46 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.738 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.99 -18.25 56.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -111.57 -13.74 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' ALA . 25.5 mt-30 71.89 60.39 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -144.0 -163.33 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -115.0 106.7 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.674 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -44.95 -41.15 7.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 4.2 pt-20 -60.77 -33.47 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 46' ' ' ALA . 67.4 m-20 -87.25 -4.83 59.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 43' ' ' ILE . 89.4 mt -107.56 -179.78 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.659 ' HB2' ' HD2' ' A' ' 86' ' ' LYS . . . -165.98 148.25 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.022 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -83.56 114.51 21.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.632 HG21 ' CD1' ' A' ' 84' ' ' TYR . 8.8 t -100.56 116.18 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -103.34 107.25 18.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 2.8 mt -86.23 158.14 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -106.99 167.79 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.85 -60.88 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.8 m -39.65 -67.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.04 72.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -151.18 129.44 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -72.11 150.95 43.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.97 118.84 6.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.13 149.67 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -130.15 -159.58 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.08 164.31 16.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -2.4 12.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.596 ' ND2' HG21 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -137.31 44.88 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 69' ' ' LEU . 26.8 t70 -96.04 -12.82 24.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.49 HD11 ' HA ' ' A' ' 29' ' ' SER . 0.1 OUTLIER 84.7 128.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.93 45.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 71' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 15' ' ' TYR . 5.7 mtm180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.558 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.0 mm -78.11 155.59 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 73.3 m-85 -138.83 177.18 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.76 134.13 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.632 ' CD1' HG21 ' A' ' 53' ' ' VAL . 11.0 m-85 -127.65 169.79 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 95' ' ' PHE . 50.3 mtm180 -96.77 137.31 36.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.659 ' HD2' ' HB2' ' A' ' 51' ' ' ALA . 13.5 mtpt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.55 41.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.442 1.759 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.541 ' CZ ' ' HG3' ' A' ' 85' ' ' ARG . 14.8 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.6 HD13 ' CD1' ' A' ' 71' ' ' ILE . 1.3 tt . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -123.27 156.18 35.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.842 ' SG ' HG21 ' A' ' 35' ' ' ILE . 26.4 t -123.18 112.86 18.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 108.281 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -86.44 120.75 28.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.583 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.976 HG21 HG21 ' A' ' 39' ' ' VAL . 53.0 t -114.15 98.78 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -73.48 105.12 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.655 HD11 ' CG2' ' A' ' 22' ' ' VAL . 9.0 mt -63.09 -59.16 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.7 p -115.48 -139.24 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -94.53 -34.1 12.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -123.03 31.6 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 m -139.68 144.85 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -159.62 178.17 10.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.655 ' CG2' HD11 ' A' ' 16' ' ' ILE . 2.9 t -141.18 139.61 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p -96.02 95.65 8.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.789 HG11 HG23 ' A' ' 35' ' ' ILE . 96.5 t -97.23 148.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -98.92 98.84 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.751 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -100.02 179.81 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -116.51 177.41 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 p -73.34 -11.09 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -147.33 46.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.8 t -102.59 138.95 38.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.667 HD12 ' HB3' ' A' ' 33' ' ' GLN . 11.4 pt -74.97 162.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.997 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -60.82 -41.52 95.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.667 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -49.11 -43.73 41.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.69 ' O ' HG23 ' A' ' 38' ' ' VAL . 64.1 mm-40 -56.02 -19.6 13.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.842 HG21 ' SG ' ' A' ' 12' ' ' CYS . 10.7 mm -100.67 -47.7 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.695 HD21 ' O ' ' A' ' 47' ' ' GLU . 13.2 tp -56.41 -39.34 72.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.02 -31.2 72.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.712 HG12 ' CE ' ' A' ' 42' ' ' LYS . 12.4 t -82.75 -52.88 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.976 HG21 HG21 ' A' ' 14' ' ' VAL . 45.1 t -54.99 -52.43 43.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -38.51 -45.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.58 -43.24 63.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.712 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.6 -18.49 41.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -111.51 -16.89 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.0 mt-30 73.91 60.67 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.748 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -142.44 -162.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -114.52 104.6 12.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.695 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.6 pt-20 -44.52 -40.3 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.58 -35.86 77.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' ALA . 80.4 m-20 -87.33 -4.89 59.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' A' ' 45' ' ' TYR . 92.0 mt -107.94 -179.42 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -168.8 146.15 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.997 HD12 ' HB1' ' A' ' 32' ' ' ALA . 44.4 mt -83.34 112.68 20.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 62' ' ' HIS . 74.6 t -101.94 127.81 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -106.26 147.61 28.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 61' ' ' LYS . 16.2 mm -112.24 149.67 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -120.94 -178.42 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.62 162.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.93 -65.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.42 72.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -136.93 111.95 8.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.743 . . . . 0.0 110.271 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.749 ' HA ' HD13 ' A' ' 55' ' ' ILE . 1.4 ptpt -79.95 153.17 29.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.515 ' O ' HG13 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -138.34 156.34 47.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.56 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -118.04 115.04 24.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -95.32 -159.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -110.74 163.68 16.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.43 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.3 Cg_endo -74.94 -1.22 10.92 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.539 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -111.57 -8.72 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.02 128.74 37.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 69' ' ' LEU . 22.0 mt -56.93 146.17 27.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.71 34.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.6 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 mm -124.22 150.99 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.616 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 78.3 m-85 -123.47 177.2 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.588 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -140.21 131.4 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.495 ' CD1' HG21 ' A' ' 53' ' ' VAL . 9.0 m-85 -125.73 151.36 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.736 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -92.81 134.41 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.7 mttt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 120.0 5.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 83' ' ' VAL . 18.3 m-85 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.707 HG21 HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.496 ' CZ ' ' HD2' ' A' ' 25' ' ' LYS . 2.1 m-85 -134.29 138.15 44.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.48 128.39 50.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.266 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -91.33 109.18 20.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.775 HG11 HG21 ' A' ' 39' ' ' VAL . 1.8 t -111.96 103.98 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.555 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 3.3 m-85 -78.15 144.51 36.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' ' 95' ' ' PHE . 23.4 mt -106.82 -56.7 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.2 p -111.35 -137.88 0.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' N ' ' OG1' ' A' ' 17' ' ' THR . 2.8 tt0 -91.84 -30.45 16.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -136.65 41.07 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.628 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -139.16 141.67 38.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -159.2 -178.19 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.578 HG11 HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -142.51 133.52 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 p -90.02 101.33 14.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.626 HG11 HG23 ' A' ' 35' ' ' ILE . 94.1 t -99.35 122.98 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 11' ' ' PHE . 3.3 tttt -92.33 98.78 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.541 ' HB1' ' CB ' ' A' ' 30' ' ' SER . . . -117.73 -179.78 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -75.15 176.51 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.7 p -80.7 -3.55 6.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -138.03 26.83 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.541 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -75.44 147.96 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 66' ' ' PRO . 10.9 pt -87.17 164.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 1.069 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -55.69 -41.9 74.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.9 tp60 -54.03 -39.35 66.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' C ' HD13 ' A' ' 35' ' ' ILE . 2.2 mm-40 -63.08 -11.88 22.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.626 HG23 HG11 ' A' ' 24' ' ' VAL . 7.4 mm -107.65 -44.24 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.72 HD21 ' O ' ' A' ' 47' ' ' GLU . 13.4 tp -58.79 -39.76 82.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.641 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.48 -30.82 70.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.641 HG22 ' HE3' ' A' ' 37' ' ' LYS . 16.4 t -82.25 -57.61 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.775 HG21 HG11 ' A' ' 14' ' ' VAL . 93.5 t -47.71 -55.15 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.39 -42.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -43.3 62.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.625 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -56.64 -25.16 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 50' ' ' LEU . 1.4 pt -107.2 -17.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 40' ' ' ALA . 20.3 mt-30 74.95 59.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.512 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -137.49 -162.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.487 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -111.45 103.8 12.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.72 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.6 pt-20 -43.7 -40.91 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -60.18 -37.56 80.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.487 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 75.8 m-20 -80.23 -7.9 59.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.689 HD11 HD11 ' A' ' 43' ' ' ILE . 92.8 mt -107.83 176.01 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.56 141.44 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.069 HD12 ' HB1' ' A' ' 32' ' ' ALA . 43.2 mt -84.04 113.75 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 84' ' ' TYR . 1.7 m -115.99 133.04 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.817 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -108.77 139.09 44.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.7 mt -104.79 153.81 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 57' ' ' PHE . 7.8 t -116.08 -175.46 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.367 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' N ' ' OG1' ' A' ' 56' ' ' THR . 2.3 t80 -51.46 164.6 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m 69.14 -65.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' PHE . . . 145.34 86.52 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 20.3 mt-10 -145.98 118.56 8.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -70.66 152.46 43.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -149.99 110.28 4.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.559 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.401 ' CG ' HG12 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -87.36 131.64 34.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.935 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -108.05 -158.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.2 163.51 16.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.4 Cg_endo -74.98 -4.01 14.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.403 ' O ' HG22 ' A' ' 31' ' ' ILE . 2.3 m120 -112.67 0.04 15.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.15 141.72 52.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.0 mt -70.43 134.89 48.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.455 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -106.88 30.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.707 HD13 HG21 ' A' ' 10' ' ' ILE . 1.1 tt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.555 ' HG2' ' CE1' ' A' ' 15' ' ' TYR . 3.9 mpt_? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.817 HD13 ' HB2' ' A' ' 54' ' ' ALA . 25.0 mm -79.23 141.65 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.559 ' CD1' HG13 ' A' ' 55' ' ' ILE . 92.4 m-85 -122.98 177.27 5.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.58 127.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.615 ' CE1' HG21 ' A' ' 53' ' ' VAL . 5.7 m-85 -119.1 155.77 30.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 95' ' ' PHE . 28.3 mtp180 -88.42 132.01 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 131.28 14.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.496 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 25' ' ' LYS . 2.7 m-85 -132.32 149.31 52.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.929 ' SG ' HG21 ' A' ' 35' ' ' ILE . 11.0 t -108.86 100.25 9.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.83 112.82 15.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.604 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 40.4 t -109.87 98.63 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.618 ' CE2' ' NE ' ' A' ' 80' ' ' ARG . 3.3 m-85 -72.09 104.99 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.689 HD11 ' CG2' ' A' ' 22' ' ' VAL . 10.5 mt -63.41 -58.09 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 p -115.21 -138.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -33.87 13.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -124.76 32.56 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.622 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -139.61 143.44 37.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 9.8 p90 -159.72 178.68 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.689 ' CG2' HD11 ' A' ' 16' ' ' ILE . 2.3 t -145.36 127.31 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.436 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -90.96 97.64 11.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.498 ' HB ' HG23 ' A' ' 35' ' ' ILE . 79.9 t -97.09 122.11 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 11' ' ' PHE . 3.1 tppt? -85.65 98.96 10.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.564 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -116.05 179.83 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -76.25 176.37 8.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.25 -10.92 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.519 ' O ' HD11 ' A' ' 69' ' ' LEU . 34.8 t -133.16 30.52 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.16 147.18 30.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' A' ' 33' ' ' GLN . 13.8 pt -82.04 164.89 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 1.005 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -62.05 -42.32 99.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.531 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -48.77 -43.27 37.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.767 ' O ' HG23 ' A' ' 38' ' ' VAL . 23.5 mt-10 -57.34 -24.22 53.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.929 HG21 ' SG ' ' A' ' 12' ' ' CYS . 6.5 mm -93.66 -50.73 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.781 HD21 ' O ' ' A' ' 47' ' ' GLU . 18.3 tp -50.85 -44.04 59.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.466 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.44 -31.09 68.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 34' ' ' GLU . 20.8 t -79.63 -64.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 43' ' ' ILE . 96.3 t -44.77 -53.64 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.08 -43.1 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 1.1 mm-40 -72.73 -44.61 61.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.632 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.23 -25.42 23.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 50' ' ' LEU . 1.6 pt -107.7 -18.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 40' ' ' ALA . 37.3 mt-30 75.06 57.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.518 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -133.87 -161.53 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -112.81 102.24 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.781 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.6 pt-20 -41.2 -42.7 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -58.19 -41.32 83.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 46' ' ' ALA . 35.0 m-20 -76.41 -6.95 53.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 43' ' ' ILE . 97.0 mt -107.53 176.42 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -163.87 147.57 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.005 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -83.16 114.5 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' TYR . 4.1 t -101.23 119.16 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.72 108.48 20.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mt -91.11 157.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.8 t -118.7 174.71 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.426 ' N ' ' OG1' ' A' ' 56' ' ' THR . 7.8 t80 -68.42 59.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' THR . 44.3 t -175.0 34.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' SER . . . 37.51 51.55 1.83 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -124.18 112.31 16.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 84' ' ' TYR . 2.5 mtmp? -70.58 139.41 51.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.95 117.01 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.29 153.23 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -132.63 -159.6 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -106.5 163.07 17.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.426 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -74.99 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.29 1.08 15.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.3 128.08 32.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.519 HD11 ' O ' ' A' ' 29' ' ' SER . 1.9 tp -52.5 149.81 5.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.444 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -111.7 4.03 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.618 ' NE ' ' CE2' ' A' ' 15' ' ' TYR . 5.0 mtp180 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 81' ' ' ILE . 2.9 mp -94.63 148.27 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' VAL . 48.8 m-85 -135.33 177.07 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 3.5 p -137.28 126.93 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.475 ' CZ ' ' HD3' ' A' ' 61' ' ' LYS . 6.6 m-85 -121.75 156.22 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.483 ' HA ' HD23 ' A' ' 50' ' ' LEU . 1.5 tmt_? -85.21 115.84 23.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -164.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.662 HD13 ' CD1' ' A' ' 71' ' ' ILE . 1.3 tt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.533 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 5.9 m-85 -121.39 137.73 54.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.668 ' SG ' HG21 ' A' ' 35' ' ' ILE . 9.0 t -111.2 121.89 46.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -90.66 113.84 25.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.623 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.606 HG11 HG21 ' A' ' 39' ' ' VAL . 2.0 t -117.32 99.62 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.516 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.3 m-85 -74.68 125.91 29.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.1 mt -86.49 -56.06 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 6.1 p -116.74 -137.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.514 ' HG3' ' CG ' ' A' ' 19' ' ' HIS . 10.1 pt-20 -85.72 -43.17 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CG ' ' HG3' ' A' ' 18' ' ' GLU . 6.5 m170 -127.19 42.8 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.574 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.51 139.84 37.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.0 p90 -159.37 -178.48 7.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 39' ' ' VAL . 1.4 p -142.73 129.41 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 p -87.77 103.5 15.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.965 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 35' ' ' ILE . 60.6 t -105.47 124.28 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HE2' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -80.6 99.21 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.859 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -107.03 171.98 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -88.14 175.83 7.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.0 p -72.76 -12.34 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 t -141.47 42.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -91.19 154.5 19.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.735 HD12 ' HB3' ' A' ' 33' ' ' GLN . 10.9 pt -88.6 165.16 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.812 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -63.04 -42.25 99.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.735 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -48.22 -42.55 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 38' ' ' VAL . 39.4 mt-10 -57.28 -16.7 9.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.859 HD11 ' HB2' ' A' ' 26' ' ' ALA . 7.9 mm -102.69 -50.03 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.723 HD21 ' O ' ' A' ' 47' ' ' GLU . 13.6 tp -55.44 -39.26 70.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -63.41 -31.66 72.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.94 HG12 ' HE3' ' A' ' 42' ' ' LYS . 12.1 t -83.65 -53.81 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.606 HG21 HG11 ' A' ' 14' ' ' VAL . 74.2 t -50.17 -55.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.76 -48.4 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -44.13 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.94 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.43 -23.61 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.4 pt -110.32 -18.58 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ALA . 17.6 mt-30 78.91 55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.5 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -133.8 -161.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.52 103.67 11.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.723 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.7 pt-20 -45.39 -38.98 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 9.0 pt-20 -61.66 -34.46 75.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.4 m-20 -84.43 -4.48 58.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.529 ' CB ' HD11 ' A' ' 36' ' ' LEU . 96.0 mt -108.18 -179.75 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -169.01 149.78 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.812 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.4 mm? -83.7 117.32 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.512 HG21 ' CD1' ' A' ' 84' ' ' TYR . 96.8 t -106.33 126.69 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . . . -107.32 140.08 40.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.585 ' CG1' ' CE1' ' A' ' 82' ' ' TYR . 10.2 mm -111.34 125.79 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.634 HG22 ' HG2' ' A' ' 60' ' ' GLU . 10.2 t -89.3 178.73 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 58' ' ' SER . 6.9 p90 -61.29 -40.88 95.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.577 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -55.99 -22.08 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.21 -22.42 33.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.634 ' HG2' HG22 ' A' ' 56' ' ' THR . 1.3 pt-20 -61.9 153.57 28.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.775 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.559 ' CB ' ' CD1' ' A' ' 55' ' ' ILE . 3.8 ptmt -108.3 160.36 15.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 2.1 t60 -143.71 140.4 29.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -103.98 102.43 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -74.79 -162.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -109.8 163.62 16.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.4 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -109.67 -6.77 15.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' ALA . 11.6 t70 -68.28 138.57 55.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.71 143.9 54.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.45 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.29 36.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.662 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.587 ' O ' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 9.0 mm -85.09 157.83 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 80' ' ' ARG . 75.4 m-85 -140.24 177.27 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 2.4 p -136.51 129.06 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.512 ' CD1' HG21 ' A' ' 53' ' ' VAL . 6.3 m-85 -119.16 159.57 23.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.49 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.17 149.23 21.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.5 mttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.422 ' ND2' ' N ' ' A' ' 93' ' ' ASN . 1.1 m120 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.45 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.02 55.15 3.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.418 HG12 HD13 ' A' ' 71' ' ' ILE . 1.3 tt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 17.3 m-85 -134.75 148.31 50.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.693 ' SG ' HG21 ' A' ' 35' ' ' ILE . 11.9 t -110.31 117.13 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -97.11 113.2 24.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.593 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 5.4 t -115.26 111.76 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.786 ' C ' HD13 ' A' ' 16' ' ' ILE . 5.1 m-85 -86.7 132.81 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.01 HD12 HG12 ' A' ' 83' ' ' VAL . 1.1 mm -93.46 -44.08 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.5 p -134.0 -139.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -89.78 -31.76 17.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.26 34.75 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -135.81 132.8 37.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.46 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.8 p90 -161.13 177.64 10.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.676 HG21 HG13 ' A' ' 39' ' ' VAL . 2.1 t -146.38 134.41 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.33 93.81 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.73 ' HB ' HG23 ' A' ' 35' ' ' ILE . 49.8 t -95.37 119.05 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 24.2 tttm -84.27 99.05 10.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.558 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -120.44 -179.46 3.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.95 176.82 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 p -83.52 -7.53 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.19 29.44 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -82.99 157.75 22.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.024 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 33' ' ' GLN . 12.1 pt -90.18 165.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 1.068 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -61.34 -43.9 98.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.648 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -47.34 -45.18 24.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 38' ' ' VAL . 41.6 mt-10 -56.0 -21.64 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.73 HG23 ' HB ' ' A' ' 24' ' ' VAL . 5.3 mm -99.74 -49.71 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.758 ' HB2' HD21 ' A' ' 52' ' ' LEU . 15.0 tp -55.31 -40.88 71.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -61.67 -31.98 72.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.707 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.7 t -81.93 -58.84 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.676 HG13 HG21 ' A' ' 22' ' ' VAL . 94.5 t -47.15 -54.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.68 -45.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.35 -44.94 70.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.707 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -52.53 -29.6 26.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.807 HD11 HD11 ' A' ' 50' ' ' LEU . 2.1 pt -103.19 -18.6 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.4 mt-30 77.28 55.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.504 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -133.57 -164.76 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.671 ' HB3' ' OD1' ' A' ' 49' ' ' ASP . . . -111.49 103.59 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.75 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.0 pt-20 -39.24 -35.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.58 -48.48 81.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.671 ' OD1' ' HB3' ' A' ' 46' ' ' ALA . 4.2 m-20 -72.7 -5.71 39.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.807 HD11 HD11 ' A' ' 43' ' ' ILE . 49.3 mt -107.51 175.4 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -168.83 148.69 4.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.068 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.3 mm? -83.38 114.88 21.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.649 HG21 ' CD1' ' A' ' 84' ' ' TYR . 22.4 t -104.14 110.0 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.531 ' HB2' HG12 ' A' ' 81' ' ' ILE . . . -100.83 112.18 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.522 HG23 ' C ' ' A' ' 60' ' ' GLU . 1.9 mt -97.44 152.95 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.1 t -114.39 178.85 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.369 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -43.68 166.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.93 -70.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 57' ' ' PHE . . . 149.04 87.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.522 ' C ' HG23 ' A' ' 55' ' ' ILE . 28.4 mt-10 -141.77 117.46 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 84' ' ' TYR . 10.6 mttp -70.17 147.74 49.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.03 110.63 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.43 147.38 23.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.53 -160.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -104.04 163.49 17.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.2 Cg_endo -75.05 -4.69 15.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.624 ' O ' HG22 ' A' ' 31' ' ' ILE . 13.9 t-20 -111.0 -3.68 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -76.75 123.47 26.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ASP . 23.0 mt -40.41 152.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -100.79 -85.23 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.418 HD13 HG12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' O ' ' CE1' ' A' ' 82' ' ' TYR . 1.1 mpt_? . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.531 HG12 ' HB2' ' A' ' 54' ' ' ALA . 25.8 mt -91.29 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' VAL . 76.8 m-85 -142.85 177.71 8.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.01 HG12 HD12 ' A' ' 16' ' ' ILE . 8.5 p -130.41 135.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.649 ' CD1' HG21 ' A' ' 53' ' ' VAL . 8.4 m-85 -124.45 152.73 42.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.477 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -87.53 148.99 24.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 132.3 15.23 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.027 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.424 HD13 ' CG1' ' A' ' 71' ' ' ILE . 1.1 tt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -131.65 162.87 29.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -124.69 103.02 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.539 ' CD2' ' HB3' ' A' ' 23' ' ' SER . 6.4 m80 -88.96 107.77 19.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.803 HG22 HG13 ' A' ' 22' ' ' VAL . 1.9 m -102.75 126.39 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.597 ' O ' ' CD2' ' A' ' 82' ' ' TYR . 3.4 m-30 -97.2 118.31 33.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 20' ' ' SER . 2.1 mt -71.29 -61.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.0 p -111.32 -136.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -90.66 -36.73 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -126.04 34.68 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -139.13 132.87 30.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.463 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 22.8 p90 -160.88 171.79 18.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.843 HG11 HG13 ' A' ' 39' ' ' VAL . 1.8 p -149.38 126.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.539 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 1.5 p -84.43 155.42 22.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.566 ' HB ' HG23 ' A' ' 35' ' ' ILE . 94.8 t -147.67 130.83 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -69.44 98.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.678 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -100.8 -179.63 4.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -112.21 176.59 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.14 -6.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -148.99 41.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 69' ' ' LEU . 35.4 t -97.22 153.93 17.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.604 HD12 ' HB3' ' A' ' 33' ' ' GLN . 16.1 pt -90.38 166.89 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.809 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -66.79 -40.18 88.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.604 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.4 tp60 -49.9 -40.41 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.649 ' O ' HG23 ' A' ' 38' ' ' VAL . 59.1 mt-10 -62.0 -12.56 19.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.678 HD11 ' HB2' ' A' ' 26' ' ' ALA . 32.1 mm -102.29 -47.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.761 HD21 ' O ' ' A' ' 47' ' ' GLU . 15.2 tp -56.69 -42.74 79.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HE2' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -61.35 -30.24 70.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.693 HG12 ' CE ' ' A' ' 42' ' ' LYS . 19.3 t -83.25 -50.54 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.843 HG13 HG11 ' A' ' 22' ' ' VAL . 96.2 t -55.93 -52.84 44.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.31 -41.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -41.66 61.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.693 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.57 -31.55 69.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.705 HD11 HD11 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -102.04 -11.88 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ALA . 20.3 mt-30 66.36 62.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.527 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -138.66 -159.77 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.53 103.1 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.761 ' O ' HD21 ' A' ' 36' ' ' LEU . 11.1 pt-20 -44.14 -43.25 6.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -60.16 -31.82 70.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' ALA . 82.8 m-20 -86.5 -6.35 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.705 HD11 HD11 ' A' ' 43' ' ' ILE . 71.7 mt -106.99 -179.72 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -166.46 147.06 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.977 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -83.43 119.18 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.888 HG21 ' CD1' ' A' ' 84' ' ' TYR . 4.2 t -102.73 154.15 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.592 ' HB2' HD21 ' A' ' 64' ' ' LEU . . . -130.33 125.34 34.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.77 HD13 ' CB ' ' A' ' 61' ' ' LYS . 3.3 mm -97.11 138.53 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' SER . 8.1 t -93.83 166.79 12.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -66.31 69.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' THR . 8.4 m -177.84 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 55' ' ' ILE . . . 138.77 -37.14 1.82 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -47.72 137.37 9.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.77 ' CB ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -107.38 156.27 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.453 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 11.3 t60 -140.27 153.68 46.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.585 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -108.42 115.7 30.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.977 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -89.2 -160.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -109.81 163.51 16.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -1.86 11.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.594 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -112.41 -6.01 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.99 124.05 19.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 30' ' ' SER . 12.6 mt -60.94 131.15 49.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.428 HG21 ' CG1' ' A' ' 35' ' ' ILE . 1.1 m -104.41 73.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.424 ' CG1' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 18.5 mm -99.16 150.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 8.9 m-85 -135.12 175.87 9.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 p -140.94 123.23 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.888 ' CD1' HG21 ' A' ' 53' ' ' VAL . 22.0 m-85 -118.21 166.2 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.4 OUTLIER -97.97 148.49 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.09 30.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 21.5 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 26' ' ' ALA . 7.0 tt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -128.58 163.28 25.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 t -126.18 106.12 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 108.31 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -84.21 117.84 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.461 HG11 HG11 ' A' ' 39' ' ' VAL . 55.7 t -116.7 99.65 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.449 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.5 m-85 -76.34 133.07 40.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.686 ' CD1' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -93.2 -62.66 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.5 p -104.77 -134.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -98.53 -24.39 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -136.4 39.31 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -139.86 136.56 34.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -160.24 173.51 15.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.535 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 4.9 t -133.54 139.17 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.4 p -101.21 87.29 3.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.579 HG11 HG23 ' A' ' 35' ' ' ILE . 71.8 t -92.97 141.13 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -95.2 98.7 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 1.025 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -102.98 162.02 13.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -77.23 176.34 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.87 -10.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m -144.58 41.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.408 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -87.89 149.94 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.659 HD12 ' HB3' ' A' ' 33' ' ' GLN . 14.1 pt -88.88 163.9 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 1.014 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -64.73 -40.21 94.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.659 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -48.56 -43.86 36.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.749 ' O ' HG23 ' A' ' 38' ' ' VAL . 39.0 mt-10 -56.66 -35.4 68.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 1.025 HD11 ' HB2' ' A' ' 26' ' ' ALA . 8.9 mm -85.46 -39.08 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.821 ' HB2' HD21 ' A' ' 52' ' ' LEU . 17.3 tp -56.83 -46.91 81.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' CB ' ' OE2' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -57.91 -31.48 66.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.9 t -80.21 -65.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.461 HG11 HG11 ' A' ' 14' ' ' VAL . 83.7 t -44.19 -52.86 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.24 -44.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -71.94 -45.19 62.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.538 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.41 -28.16 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.54 HD11 HD11 ' A' ' 50' ' ' LEU . 1.4 pt -104.52 -18.98 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' ALA . 26.6 mt-30 75.94 58.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.516 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -136.23 -160.72 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.83 104.07 11.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.709 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.2 pt-20 -44.93 -41.9 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -59.34 -33.56 71.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' ALA . 1.3 m-20 -87.71 -3.66 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.692 HD23 ' HA ' ' A' ' 85' ' ' ARG . 77.6 mt -107.34 -179.8 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -173.83 141.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.014 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.6 mm? -83.59 117.1 22.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.678 HG12 ' HG3' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -114.36 127.73 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' HIS . . . -97.49 154.55 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.49 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.4 mt -133.1 154.39 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 t -100.51 171.86 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' SER . 17.0 t80 -54.01 -60.16 3.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -39.21 -62.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.31 72.25 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 55' ' ' ILE . 38.1 mt-10 -141.06 125.36 17.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -71.88 148.69 45.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -151.03 115.52 5.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.571 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.678 ' HG3' HG12 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -91.23 154.62 19.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.898 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -130.83 -156.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -112.43 163.15 18.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.49 14.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.596 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -109.89 -2.22 17.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' ILE . 7.3 t70 -70.45 154.71 41.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.77 141.23 37.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -109.01 36.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.529 HD12 ' N ' ' A' ' 81' ' ' ILE . 4.2 mp -107.43 157.95 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 41.0 m-85 -148.42 176.19 10.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 1.9 p -131.84 130.57 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -118.45 154.44 32.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.692 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -94.88 133.53 38.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 111.85 3.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -126.73 142.35 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.791 ' SG ' HG21 ' A' ' 35' ' ' ILE . 21.5 t -112.02 86.65 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 21' ' ' TYR . 73.8 m80 -72.27 124.42 25.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.748 HG11 HG21 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -115.84 111.86 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -82.35 112.63 19.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.158 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.507 HD11 ' CG2' ' A' ' 22' ' ' VAL . 9.5 mt -71.72 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.439 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 82.2 p -108.93 -137.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.25 -37.1 12.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -124.06 32.66 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.549 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.439 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 1.7 m -139.4 137.89 36.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.565 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 15.4 p90 -160.43 175.63 12.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.582 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 2.7 t -138.26 128.42 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -92.3 109.01 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.639 ' HB ' HG23 ' A' ' 35' ' ' ILE . 91.7 t -106.32 108.92 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.59 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -77.41 98.2 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.551 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -115.47 -179.87 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -75.96 176.38 7.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.596 HG23 ' CD1' ' A' ' 71' ' ' ILE . 9.9 p -82.97 -3.51 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -132.64 24.05 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.055 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -82.8 141.76 32.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.496 HD12 ' HB3' ' A' ' 33' ' ' GLN . 12.8 pt -82.69 163.9 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.93 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -58.41 -42.75 87.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.7 tp60 -50.09 -42.15 49.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.6 mm-40 -62.36 -12.72 22.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.817 HG13 HG21 ' A' ' 70' ' ' VAL . 11.0 mm -102.46 -53.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.753 HD21 ' O ' ' A' ' 47' ' ' GLU . 15.1 tp -49.12 -40.48 32.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.65 -30.74 70.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.703 HG12 ' HE2' ' A' ' 42' ' ' LYS . 13.2 t -80.51 -62.04 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.748 HG21 HG11 ' A' ' 14' ' ' VAL . 88.1 t -45.48 -55.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -38.84 -43.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.25 -44.85 62.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.703 ' HE2' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.28 -29.58 33.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.519 HD11 HD11 ' A' ' 50' ' ' LEU . 1.7 pt -103.92 -18.63 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 40' ' ' ALA . 39.5 mt-30 75.13 57.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.519 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -131.38 -160.52 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.511 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -112.96 99.16 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.753 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.5 pt-20 -41.42 -42.66 2.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.38 -40.02 81.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.511 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 78.5 m-20 -79.43 -5.2 54.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CB ' HD11 ' A' ' 36' ' ' LEU . 44.0 mt -106.49 -179.16 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -168.04 148.43 4.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.93 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -83.42 120.94 26.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.777 HG21 ' CD1' ' A' ' 84' ' ' TYR . 22.1 t -107.57 146.65 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.89 132.25 56.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.613 HD13 ' CA ' ' A' ' 61' ' ' LYS . 1.2 mm -120.16 102.19 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.589 HG22 ' HB2' ' A' ' 60' ' ' GLU . 8.9 t -62.61 155.95 24.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.676 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 42.8 p90 -57.19 98.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 57' ' ' PHE . 0.9 OUTLIER 154.86 -68.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 154.05 66.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.589 ' HB2' HG22 ' A' ' 56' ' ' THR . 21.5 mt-10 -145.15 103.88 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.613 ' CA ' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -81.1 146.54 30.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 13.3 t60 -144.42 158.32 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.05 130.69 55.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -109.09 -157.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -110.22 162.77 19.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.402 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -74.98 -4.87 16.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -113.59 21.95 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.99 126.5 35.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' VAL . 4.2 mm? -63.95 91.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.817 HG21 HG13 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -38.24 -44.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.596 ' CD1' HG23 ' A' ' 28' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 40.4 mm -80.72 147.0 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.541 ' CE1' HG13 ' A' ' 55' ' ' ILE . 8.1 m-85 -123.81 174.93 7.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 3.5 p -141.47 120.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.777 ' CD1' HG21 ' A' ' 53' ' ' VAL . 5.7 m-85 -111.86 162.59 15.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.516 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -109.06 124.42 50.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.61 41.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 8.3 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.463 HD13 HD11 ' A' ' 71' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -124.61 157.78 34.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.86 ' SG ' HG21 ' A' ' 35' ' ' ILE . 15.3 t -120.15 104.03 9.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 108.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -77.7 107.48 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.581 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.587 HG11 HG21 ' A' ' 39' ' ' VAL . 2.2 t -113.64 108.22 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 3.6 m-85 -83.28 129.21 34.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.6 mt -87.92 -56.42 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.0 p -114.27 -138.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 17' ' ' THR . 3.1 tp10 -90.86 -32.03 16.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -132.54 38.64 3.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.53 140.36 37.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.04 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.428 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.3 p90 -158.61 -178.79 7.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.805 HG11 HG22 ' A' ' 39' ' ' VAL . 2.4 p -142.18 130.76 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.9 p -91.87 92.63 8.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 22' ' ' VAL . 57.9 t -97.7 135.33 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -79.0 98.84 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.548 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -99.22 179.46 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.66 176.54 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.572 ' HA ' HD13 ' A' ' 71' ' ' ILE . 2.2 p -73.68 -11.72 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.884 ' HA ' HD21 ' A' ' 69' ' ' LEU . 26.8 t -145.36 44.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.5 t -97.8 147.88 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.916 HG22 ' O ' ' A' ' 67' ' ' ASN . 17.3 pt -85.31 166.52 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 1.005 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -65.0 -43.27 93.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.501 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -46.78 -43.66 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.7 mm-40 -56.83 -25.24 55.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.86 HG21 ' SG ' ' A' ' 12' ' ' CYS . 13.9 mm -97.61 -48.87 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.732 HD21 ' O ' ' A' ' 47' ' ' GLU . 16.2 tp -54.76 -41.43 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -60.91 -32.95 72.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 34' ' ' GLU . 15.1 t -80.38 -61.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.805 HG22 HG11 ' A' ' 22' ' ' VAL . 69.9 t -43.42 -54.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.37 -43.99 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.92 -43.23 62.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.695 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -55.9 -23.02 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.515 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.6 pt -110.89 -17.6 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.1 mt-30 74.74 58.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.515 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -134.2 -160.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.17 101.3 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.732 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.3 pt-20 -43.03 -41.19 3.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.95 -39.18 84.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -80.25 -3.93 51.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' ' 85' ' ' ARG . 75.7 mt -107.2 -179.83 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -174.64 139.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.005 HD12 ' HB1' ' A' ' 32' ' ' ALA . 96.4 mt -82.66 113.89 20.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.559 HG12 ' HG3' ' A' ' 63' ' ' GLU . 1.1 m -113.24 114.68 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.766 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . . . -89.73 148.16 23.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.2 mt -127.79 155.41 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.659 HG22 ' HG2' ' A' ' 60' ' ' GLU . 7.0 t -109.49 -173.95 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' A' ' 58' ' ' SER . 13.7 p90 -70.06 -45.42 67.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.587 ' N ' ' CG ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -49.69 -32.32 13.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.985 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.8 66.51 0.9 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.057 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.659 ' HG2' HG22 ' A' ' 56' ' ' THR . 6.2 pt-20 -138.4 132.12 30.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -78.56 147.51 33.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.83 111.01 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.61 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.559 ' HG3' HG12 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -90.35 124.72 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 64' ' ' LEU . 2.0 mm? -85.84 -125.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.742 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 11.9 mt-30 -156.76 171.44 7.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.742 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.96 11.39 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.916 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -127.6 -37.78 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -44.29 123.6 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.884 HD21 ' HA ' ' A' ' 29' ' ' SER . 1.5 tp -53.36 146.98 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.554 HG11 HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -109.13 40.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.572 HD13 ' HA ' ' A' ' 28' ' ' VAL . 1.4 tt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.573 ' HG2' ' CE1' ' A' ' 15' ' ' TYR . 2.9 mpt_? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.766 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 32.3 mm -76.05 138.86 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 15' ' ' TYR . 68.1 m-85 -121.83 161.81 22.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 2.0 p -128.31 132.81 67.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -120.01 152.99 36.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.589 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -96.28 122.69 39.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 131.42 14.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.417 HG21 ' HA ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 6.8 m-85 -125.86 137.35 53.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -98.53 111.99 24.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 108.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -78.75 111.51 14.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.592 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.601 HG11 HG11 ' A' ' 39' ' ' VAL . 2.3 t -108.52 99.12 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -79.77 113.12 17.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.4 mt -66.77 -59.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.745 HG22 ' HB2' ' A' ' 20' ' ' SER . 7.0 t -127.17 -132.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.585 ' N ' HG23 ' A' ' 17' ' ' THR . 2.4 tp10 -73.3 -77.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 4.2 m170 -101.84 47.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.745 ' HB2' HG22 ' A' ' 17' ' ' THR . 2.1 m -140.07 136.71 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.83 -177.67 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.95 HG11 HG13 ' A' ' 39' ' ' VAL . 2.7 p -150.17 123.56 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -75.78 124.39 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.687 HG11 HG23 ' A' ' 35' ' ' ILE . 69.5 t -124.56 121.74 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 17.1 tttt -91.3 98.73 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.516 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -118.42 -179.81 3.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' O ' HD13 ' A' ' 71' ' ' ILE . 20.9 mmtt -79.39 160.42 26.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.417 ' HA ' HG21 ' A' ' 10' ' ' ILE . 32.4 m -66.74 -12.5 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -130.07 32.62 4.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -84.14 154.47 23.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 33' ' ' GLN . 10.8 pt -89.24 163.2 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.919 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -56.93 -42.66 80.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.6 tp-100 -50.66 -43.42 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.68 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.0 mm-40 -56.47 -17.65 8.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.687 HG23 HG11 ' A' ' 24' ' ' VAL . 7.2 mm -100.16 -48.02 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.792 HD21 ' O ' ' A' ' 47' ' ' GLU . 14.4 tp -56.05 -40.84 74.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.478 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -62.66 -28.87 70.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 34' ' ' GLU . 12.9 t -85.62 -55.37 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.95 HG13 HG11 ' A' ' 22' ' ' VAL . 48.5 t -51.83 -53.42 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' TYR . . . -38.91 -46.34 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.29 -40.48 70.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.676 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -64.49 -17.31 63.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.928 HD11 HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -114.87 -4.66 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' ALA . 18.7 mt-30 62.36 64.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.487 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -146.61 -166.98 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.589 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -112.52 104.85 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.792 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.5 pt-20 -36.79 -46.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.97 -47.21 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.589 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 58.4 m-20 -69.41 -9.78 55.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.928 HD21 HD11 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -103.53 179.57 4.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HB2' ' HE3' ' A' ' 86' ' ' LYS . . . -167.68 143.47 3.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.919 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -81.97 114.22 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' A' ' 84' ' ' TYR . 18.9 t -99.71 129.62 50.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.67 131.46 54.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.863 HD13 ' HA ' ' A' ' 61' ' ' LYS . 6.2 mm -110.92 112.86 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -63.3 163.47 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' SER . 4.6 t80 -48.16 -63.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PHE . 66.7 m -39.36 -71.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.59 71.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -149.91 118.0 6.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.863 ' HA ' HD13 ' A' ' 55' ' ' ILE . 2.5 ptpp? -76.06 155.55 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -151.27 148.04 27.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.38 112.87 25.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.709 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -92.22 -160.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -107.29 163.93 15.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.419 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.3 Cg_endo -74.95 -1.99 11.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.78 11.4 19.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.12 113.86 24.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 30' ' ' SER . 11.1 mt -42.77 148.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.406 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.81 -17.43 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.468 HD13 ' O ' ' A' ' 27' ' ' LYS . 4.2 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.45 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 15.8 mt -106.04 158.3 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.667 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 19.2 m-85 -144.11 174.88 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -129.64 125.37 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.485 ' CD2' ' C ' ' A' ' 93' ' ' ASN . 4.3 m-85 -112.82 173.94 6.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.421 ' HG3' ' CE1' ' A' ' 95' ' ' PHE . 20.6 mtp180 -107.02 139.16 41.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.345 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.511 ' HE3' ' HB2' ' A' ' 51' ' ' ALA . 61.6 mttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.485 ' C ' ' CD2' ' A' ' 84' ' ' TYR . 5.2 m-80 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.99 6.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.421 ' CE1' ' HG3' ' A' ' 85' ' ' ARG . 3.7 m-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.654 HD13 HD11 ' A' ' 71' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -120.64 151.29 39.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.594 ' SG ' HG21 ' A' ' 35' ' ' ILE . 43.3 t -118.12 98.47 6.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -73.84 110.42 8.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.644 HG11 HG11 ' A' ' 39' ' ' VAL . 1.5 t -110.93 99.21 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.66 110.39 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mt -67.26 -57.19 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 8.6 p -117.63 -136.37 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' OG1' ' A' ' 17' ' ' THR . 3.6 tt0 -95.9 -31.78 12.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -126.23 32.74 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -139.25 137.7 36.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 5.3 p90 -160.21 177.02 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.549 HG11 HG13 ' A' ' 39' ' ' VAL . 2.5 p -146.5 131.13 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.33 91.39 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.472 ' HB ' HG23 ' A' ' 35' ' ' ILE . 99.5 t -92.94 130.54 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -72.64 98.79 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.613 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -101.18 179.05 4.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.482 ' O ' HG21 ' A' ' 71' ' ' ILE . 3.8 mmtp -117.7 177.88 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.23 4.56 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.519 ' HA ' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -151.02 24.8 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -87.72 148.38 24.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.884 HG22 ' O ' ' A' ' 67' ' ' ASN . 21.9 pt -88.87 170.2 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 1.114 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -66.55 -43.22 85.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -48.76 -38.87 23.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.0 mm-40 -61.08 -20.64 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 26' ' ' ALA . 23.0 mm -98.81 -47.0 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.845 ' HB2' HD21 ' A' ' 52' ' ' LEU . 16.9 tp -55.43 -42.84 74.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.456 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.34 -31.99 70.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.976 HG12 ' HE3' ' A' ' 42' ' ' LYS . 15.2 t -82.94 -61.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.644 HG11 HG11 ' A' ' 14' ' ' VAL . 73.7 t -44.55 -52.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -42.27 -47.22 4.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -70.42 -43.33 70.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.976 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.32 -29.46 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.51 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.3 pt -105.65 -16.93 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ALA . 19.4 mt-30 76.05 55.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.51 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -131.34 -161.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.1 104.19 12.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.808 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -43.17 -44.5 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -58.69 -35.41 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' ALA . 4.3 m-20 -80.15 -7.41 58.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.685 ' CB ' HD11 ' A' ' 36' ' ' LEU . 86.5 mt -107.79 -179.6 3.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HB1' ' CG ' ' A' ' 63' ' ' GLU . . . -171.26 141.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.114 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -83.05 124.34 30.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.667 HG21 ' CE1' ' A' ' 84' ' ' TYR . 1.5 m -125.93 127.22 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.82 136.63 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.685 HD13 ' CB ' ' A' ' 61' ' ' LYS . 2.6 mm -104.53 108.24 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 60' ' ' GLU . 10.3 t -62.85 164.08 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -46.62 -65.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.58 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.0 67.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' H ' HG22 ' A' ' 56' ' ' THR . 37.6 mt-10 -144.38 113.05 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.756 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.685 ' CB ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -77.26 147.4 36.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -143.75 110.28 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.626 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.569 ' CG ' ' HB1' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -66.44 120.26 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.3 mm? -79.51 -119.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.693 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 9.4 mt-30 -158.5 169.78 10.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.693 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.03 7.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.884 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.5 t30 -126.21 -33.86 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -46.93 110.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' A' ' 29' ' ' SER . 1.8 tp -41.62 150.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -109.75 29.69 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.654 HD11 HD13 ' A' ' 10' ' ' ILE . 10.1 tt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mm -86.71 142.31 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.596 ' CE1' HG13 ' A' ' 55' ' ' ILE . 5.4 m-85 -120.64 177.35 5.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 7.1 p -147.37 122.59 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.667 ' CE1' HG21 ' A' ' 53' ' ' VAL . 3.4 m-85 -112.76 175.91 5.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.66 132.45 44.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.474 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 2.1 m-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo -74.94 55.13 3.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.755 HG21 HD12 ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.522 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -130.95 161.99 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.792 ' SG ' HG21 ' A' ' 35' ' ' ILE . 5.5 t -122.35 97.1 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.533 ' CD2' ' HB3' ' A' ' 23' ' ' SER . 9.0 m80 -84.43 109.99 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.708 HG22 HG13 ' A' ' 22' ' ' VAL . 2.4 m -108.18 128.13 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.483 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.5 m-30 -97.51 119.61 36.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' SER . 9.2 mt -72.17 -58.8 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.8 p -113.83 -138.23 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' A' ' 19' ' ' HIS . 4.6 pt-20 -89.53 -35.48 15.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.485 ' CE1' ' HG3' ' A' ' 18' ' ' GLU . 6.6 m170 -127.8 35.8 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.614 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -139.59 134.23 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.953 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 24.2 p90 -160.96 172.48 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.121 HG11 HG13 ' A' ' 39' ' ' VAL . 2.5 p -148.41 122.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.533 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 1.9 p -83.04 149.57 26.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.693 ' HB ' HG23 ' A' ' 35' ' ' ILE . 92.6 t -140.37 128.46 24.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 2.8 tptt -83.65 99.17 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -115.78 -179.8 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.6 175.56 8.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.913 ' HA ' HD13 ' A' ' 71' ' ' ILE . 15.9 m -75.64 -12.38 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.592 ' HA ' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -129.85 26.82 5.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.537 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -79.63 149.6 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 67' ' ' ASN . 16.0 pt -89.59 165.49 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 1.033 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -61.6 -42.98 99.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -48.57 -42.85 34.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.667 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.0 mm-40 -59.37 -15.42 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.871 HG13 HG21 ' A' ' 70' ' ' VAL . 5.6 mm -100.94 -53.94 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.846 HD11 ' CB ' ' A' ' 50' ' ' LEU . 19.2 tp -50.8 -41.74 57.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.88 -30.21 70.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.706 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.8 t -84.69 -50.52 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.121 HG13 HG11 ' A' ' 22' ' ' VAL . 94.2 t -54.63 -51.92 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.7 -45.54 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.33 -39.77 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.706 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -63.85 -19.03 64.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.767 HD11 HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -117.63 0.82 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ALA . 31.4 mt-30 54.89 64.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.519 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -143.21 -162.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -115.23 107.55 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.777 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.8 pt-20 -46.43 -41.6 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -60.23 -25.25 65.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ALA . 82.6 m-20 -93.22 -6.77 46.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.846 ' CB ' HD11 ' A' ' 36' ' ' LEU . 77.4 mt -107.54 -179.59 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.72 143.79 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.033 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -84.07 114.3 21.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 84' ' ' TYR . 2.4 m -117.58 122.67 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.25 154.31 18.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.5 HG13 ' CD1' ' A' ' 82' ' ' TYR . 1.9 mt -124.1 156.14 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 57' ' ' PHE . 7.4 t -109.31 -174.0 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.442 ' N ' ' OG1' ' A' ' 56' ' ' THR . 18.7 t80 -67.61 -55.02 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -34.67 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.97 85.69 1.89 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -157.1 128.15 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -77.67 148.56 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -150.96 110.23 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.573 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.416 ' CG ' HG12 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -78.91 116.02 18.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.4 mm? -74.71 -123.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.718 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 16.3 mt-30 -159.03 170.41 8.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.718 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.01 8.49 2.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.686 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -125.71 -35.07 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.485 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -43.74 103.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.592 HD21 ' HA ' ' A' ' 29' ' ' SER . 1.5 tp -41.71 148.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.871 HG21 HG13 ' A' ' 35' ' ' ILE . 11.2 m -117.65 67.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.913 HD13 ' HA ' ' A' ' 28' ' ' VAL . 2.4 tt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.484 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.581 HD12 ' N ' ' A' ' 81' ' ' ILE . 3.2 mp -100.93 151.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 9.2 m-85 -140.77 166.39 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 HG11 ' A' ' 39' ' ' VAL . 4.1 p -130.48 123.92 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.586 ' CE1' HG21 ' A' ' 53' ' ' VAL . 4.7 m-85 -115.26 174.51 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.17 138.53 37.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.8 mttt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.15 36.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.472 HG21 ' HA ' ' A' ' 28' ' ' VAL . 12.2 tt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.4 m-85 -133.86 138.35 45.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -95.74 111.43 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 108.29 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -81.33 113.48 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.624 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.84 HG11 HG11 ' A' ' 39' ' ' VAL . 2.9 t -115.56 98.47 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.461 ' O ' HG12 ' A' ' 83' ' ' VAL . 3.3 m-85 -71.56 141.05 50.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.1 mt -101.22 -56.54 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -113.8 -138.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -89.62 -34.81 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -131.8 38.84 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -138.9 141.66 38.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -159.12 178.78 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.589 HG21 ' CB ' ' A' ' 42' ' ' LYS . 11.6 p -136.62 135.83 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.2 p -90.42 105.99 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.864 HG11 HG23 ' A' ' 35' ' ' ILE . 92.2 t -105.82 121.98 58.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -93.09 99.25 11.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.508 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -119.04 -179.5 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' N ' ' OG ' ' A' ' 30' ' ' SER . 13.6 mmtm -72.42 176.3 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.472 ' HA ' HG21 ' A' ' 10' ' ' ILE . 12.3 p -81.02 -15.43 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.4 t -132.12 32.8 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -80.96 155.43 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.645 HD12 ' HB3' ' A' ' 33' ' ' GLN . 15.7 pt -85.94 167.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.957 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -68.44 -44.98 73.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.645 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -43.42 -46.7 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.741 ' O ' HG23 ' A' ' 38' ' ' VAL . 26.8 mt-10 -52.55 -44.02 65.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.864 HG23 HG11 ' A' ' 24' ' ' VAL . 6.5 mm -66.62 -40.48 86.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.57 ' HG ' HD21 ' A' ' 52' ' ' LEU . 1.7 mt -52.02 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 34' ' ' GLU . 3.9 pttt -42.51 -31.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 34' ' ' GLU . 41.4 t -80.41 -63.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.84 HG11 HG11 ' A' ' 14' ' ' VAL . 84.5 t -52.41 -54.28 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.511 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . . . -35.51 -48.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.6 OUTLIER -74.08 -50.55 19.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.641 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -47.51 -25.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.904 HD11 HD11 ' A' ' 50' ' ' LEU . 2.2 pt -108.18 -23.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' ALA . 35.3 mt-30 80.73 56.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.505 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -137.15 -161.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.14 108.64 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.511 ' OE1' ' CB ' ' A' ' 40' ' ' ALA . 3.6 pm0 -46.78 -40.32 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' CG ' ' OD1' ' A' ' 49' ' ' ASP . 5.9 pt-20 -59.76 -24.37 64.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -99.07 -7.43 26.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.904 HD11 HD11 ' A' ' 43' ' ' ILE . 93.9 mt -106.29 -179.75 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.427 ' HB1' ' CG ' ' A' ' 63' ' ' GLU . . . -173.77 143.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.957 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.5 mm? -81.25 116.44 21.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' TYR . 2.3 t -110.86 109.85 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.497 ' HB2' HG13 ' A' ' 81' ' ' ILE . . . -104.14 131.72 51.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.445 HD13 ' HG2' ' A' ' 61' ' ' LYS . 2.1 mt -123.82 156.28 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -107.98 174.88 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -65.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -59.28 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.79 85.69 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 55' ' ' ILE . 32.1 mt-10 -137.14 117.66 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.529 ' HE2' ' CZ ' ' A' ' 84' ' ' TYR . 2.9 mmtp -74.06 138.57 44.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.19 110.18 3.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' CG ' ' HB1' ' A' ' 51' ' ' ALA . 1.9 tm-20 -87.81 -4.18 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.3 OUTLIER 38.0 -154.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -120.98 163.22 30.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.65 10.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.489 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -114.88 -2.08 13.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 153.01 40.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.9 mt -75.36 144.68 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.52 HG13 ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -108.32 19.49 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.471 ' O ' ' CE2' ' A' ' 82' ' ' TYR . 1.5 mtm180 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.497 HG13 ' HB2' ' A' ' 54' ' ' ALA . 3.6 mp -77.88 148.06 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.471 ' CE2' ' O ' ' A' ' 80' ' ' ARG . 96.3 m-85 -135.69 174.66 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 15' ' ' TYR . 1.4 p -134.74 130.79 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.529 ' CZ ' ' HE2' ' A' ' 61' ' ' LYS . 9.8 m-85 -125.04 164.24 20.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 95' ' ' PHE . 4.9 mpp_? -93.49 142.6 27.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ASP . 1.6 mtpt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.442 HD22 ' N ' ' A' ' 93' ' ' ASN . 1.9 m-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.79 28.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 1.5 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.439 ' CD1' HG13 ' A' ' 71' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.02 147.28 50.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.802 ' SG ' HG21 ' A' ' 35' ' ' ILE . 12.5 t -110.34 92.98 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 108.291 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -71.19 119.8 15.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.694 HG11 HG11 ' A' ' 39' ' ' VAL . 43.8 t -113.9 98.7 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.96 107.4 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.426 HD11 ' CG2' ' A' ' 22' ' ' VAL . 9.8 mt -66.16 -55.75 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.0 p -119.49 -140.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' N ' ' OG1' ' A' ' 17' ' ' THR . 2.7 tp10 -91.26 -32.17 15.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -126.57 33.98 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.603 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.37 137.78 36.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -159.46 173.72 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.535 HG11 ' HG2' ' A' ' 42' ' ' LYS . 2.9 t -142.69 133.89 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 96.57 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.777 HG11 HG23 ' A' ' 35' ' ' ILE . 94.7 t -93.83 119.78 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -88.55 98.24 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.584 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -112.81 -179.76 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -80.2 173.13 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.8 m -76.76 -7.95 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.85 18.75 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.549 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -73.35 146.47 45.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.797 HG22 ' O ' ' A' ' 67' ' ' ASN . 14.1 pt -89.85 167.13 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 1.095 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -59.93 -44.02 94.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -48.63 -44.41 37.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.657 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.5 mm-40 -59.12 -15.36 13.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.942 HG13 HG21 ' A' ' 70' ' ' VAL . 3.8 mm -102.12 -52.59 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.775 ' HB2' HD21 ' A' ' 52' ' ' LEU . 14.2 tp -52.45 -40.32 62.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.466 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -63.61 -29.93 71.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.73 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.5 t -85.2 -54.3 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.694 HG11 HG11 ' A' ' 14' ' ' VAL . 40.8 t -52.97 -53.67 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.39 -44.7 0.44 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -46.71 53.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.73 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.17 -21.24 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.756 HD11 HD11 ' A' ' 50' ' ' LEU . 1.7 pt -110.48 -20.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ALA . 22.8 mt-30 78.23 58.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.504 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -138.3 -162.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.649 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -113.67 107.41 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.721 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -47.61 -42.18 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.52 -20.97 63.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.649 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 75.4 m-20 -97.79 -6.36 32.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.756 HD11 HD11 ' A' ' 43' ' ' ILE . 89.5 mt -108.1 179.84 4.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.39 143.09 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.095 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -83.88 118.46 23.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.614 HG21 ' CE1' ' A' ' 84' ' ' TYR . 1.9 m -119.48 123.29 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.55 156.74 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 1.7 mt -125.89 156.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.2 t -113.69 169.57 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.9 83.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 169.26 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.99 67.41 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -140.12 112.22 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 3.6 mttt -73.23 147.35 44.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.84 110.04 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.02 118.12 20.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.4 mm? -76.91 -122.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.705 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 17.5 mt-30 -157.9 170.15 9.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.705 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.94 10.96 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.797 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.7 t30 -128.91 -36.71 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.486 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -41.13 116.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 69' ' ' LEU . 14.3 mt -50.86 144.29 8.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.942 HG21 HG13 ' A' ' 35' ' ' ILE . 12.1 m -113.3 50.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.439 HG13 ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.5 mm -88.03 148.27 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -133.6 177.22 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -144.68 129.09 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.614 ' CE1' HG21 ' A' ' 53' ' ' VAL . 5.8 m-85 -121.28 169.62 10.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.408 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -94.08 139.37 31.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 49' ' ' ASP . 1.3 mtpt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 m120 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 130.15 13.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.429 ' HZ ' HD22 ' A' ' 50' ' ' LEU . 68.9 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.731 HG21 HD13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -134.63 135.45 42.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.742 ' SG ' HG21 ' A' ' 35' ' ' ILE . 35.6 t -108.0 121.67 45.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.35 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.408 ' NE2' ' HB2' ' A' ' 23' ' ' SER . 59.3 m80 -108.21 121.01 43.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 39' ' ' VAL . 1.1 m -112.37 122.91 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 80' ' ' ARG . 3.4 m-30 -90.57 116.48 28.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 21' ' ' TYR . 1.7 mp -71.68 -55.1 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.478 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 77.4 p -117.91 -137.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.08 -40.31 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -123.72 33.01 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.478 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 3.1 m -136.87 135.83 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.533 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 29.2 p90 -160.69 176.66 11.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.734 HG21 HG13 ' A' ' 39' ' ' VAL . 2.4 t -132.51 133.8 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.408 ' HB2' ' NE2' ' A' ' 13' ' ' HIS . 2.2 p -95.46 109.24 21.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.552 HG21 HG23 ' A' ' 39' ' ' VAL . 51.8 t -107.79 144.73 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 11.6 tttt -111.09 98.78 7.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.574 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -124.05 -179.55 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -88.75 175.68 7.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -77.12 -14.51 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.499 ' O ' HD11 ' A' ' 69' ' ' LEU . 8.0 t -113.27 7.36 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.533 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -72.75 128.36 35.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 67' ' ' ASN . 16.0 pt -67.44 164.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.956 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -60.69 -43.41 97.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.463 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -48.86 -40.23 28.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.5 mm-40 -59.55 -15.51 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.742 HG21 ' SG ' ' A' ' 12' ' ' CYS . 6.1 mm -101.76 -51.69 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 52' ' ' LEU . 14.3 tp -53.72 -40.09 65.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -62.81 -30.23 71.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.812 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.7 t -83.29 -58.65 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG11 HG21 ' A' ' 14' ' ' VAL . 81.2 t -47.8 -55.08 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.28 -44.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -69.69 -44.78 69.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.812 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -52.34 -29.18 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.514 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.2 pt -104.49 -18.64 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.7 mt-30 76.69 55.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.645 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -131.05 -162.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.599 ' HB3' ' CG ' ' A' ' 49' ' ' ASP . . . -111.43 101.39 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.736 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.2 pt-20 -42.64 -43.85 4.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.63 -35.02 71.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.599 ' CG ' ' HB3' ' A' ' 46' ' ' ALA . 13.9 m-20 -79.91 -14.16 58.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -102.88 -179.65 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.06 150.08 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.956 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -82.13 110.57 17.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 82' ' ' TYR . 16.4 t -102.93 109.9 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.64 117.63 33.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.2 mt -94.32 158.33 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.61 HG22 ' HG2' ' A' ' 60' ' ' GLU . 8.2 t -114.54 177.75 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.64 -55.66 32.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.18 -31.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.95 67.22 0.94 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.61 ' HG2' HG22 ' A' ' 56' ' ' THR . 3.1 pt-20 -146.2 132.68 19.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.404 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -71.23 149.54 46.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.84 130.13 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.565 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.96 141.73 36.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -123.27 -159.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.29 162.98 19.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.437 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -75.04 -5.33 16.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.625 ' O ' HG22 ' A' ' 31' ' ' ILE . 29.6 m-20 -110.45 -3.07 16.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.6 130.02 40.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 69' ' ' LEU . 1.5 tp -55.63 148.1 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.83 45.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.731 HD13 HG21 ' A' ' 10' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.419 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.3 mp -91.95 153.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 12.4 m-85 -135.89 176.27 8.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.617 HG23 ' HB3' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -139.89 113.1 5.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -107.42 174.19 5.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.437 ' HD3' ' CZ ' ' A' ' 45' ' ' TYR . 30.8 mtm105 -105.11 138.43 41.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.7 mttt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.469 ' N ' ' ND2' ' A' ' 93' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.7 6.74 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.532 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 12.9 m-85 -135.42 155.54 50.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -112.66 101.35 9.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 108.319 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -71.26 109.69 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.587 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 39' ' ' VAL . 2.1 t -106.56 105.84 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.515 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 4.1 m-85 -85.43 117.39 24.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 mt -73.77 -60.42 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.532 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 71.7 p -112.84 -135.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.583 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 12.7 pt-20 -95.57 -34.26 12.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 90.8 m-70 -125.71 34.17 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.532 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 1.5 m -139.84 141.12 36.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 3.6 p90 -159.05 -178.61 7.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.702 HG11 HG13 ' A' ' 39' ' ' VAL . 2.3 p -153.71 137.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 p -88.74 131.42 35.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.708 HG11 HG23 ' A' ' 35' ' ' ILE . 56.4 t -128.7 116.24 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -82.11 98.82 8.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -116.26 179.94 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -71.11 176.45 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.0 p -79.58 -5.07 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.2 m -144.57 34.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.966 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.482 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -76.92 157.21 31.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.049 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 33' ' ' GLN . 13.8 pt -96.64 162.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.817 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -58.73 -45.1 90.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.489 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.0 tp60 -45.52 -48.69 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.901 ' O ' HG23 ' A' ' 38' ' ' VAL . 40.6 mt-10 -57.83 -29.65 65.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.708 HG23 HG11 ' A' ' 24' ' ' VAL . 10.3 mm -83.64 -40.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.909 ' HB2' HD21 ' A' ' 52' ' ' LEU . 15.8 tp -56.61 -51.53 68.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.507 ' CB ' ' OE2' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -55.47 -31.61 62.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 34' ' ' GLU . 41.6 t -79.79 -65.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 14' ' ' VAL . 97.7 t -45.6 -53.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -37.66 -44.25 0.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.02 -44.8 60.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.622 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -55.53 -21.77 18.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.732 HD11 HD11 ' A' ' 50' ' ' LEU . 1.3 pt -111.89 -16.3 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 40' ' ' ALA . 23.9 mt-30 73.46 58.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -138.17 -162.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.99 107.68 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.719 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -45.49 -44.48 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.89 -25.73 65.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ALA . 2.6 m-20 -90.38 -6.66 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 43' ' ' ILE . 62.6 mt -107.31 169.05 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -153.12 133.33 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.909 HD21 ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -83.7 118.71 24.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.834 HG12 ' HA ' ' A' ' 63' ' ' GLU . 5.7 m -133.31 133.26 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -94.95 157.45 15.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.54 HG13 ' CD1' ' A' ' 82' ' ' TYR . 3.1 mt -127.8 157.1 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 t -109.33 166.91 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -48.66 -55.61 10.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.78 -65.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.66 72.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 55' ' ' ILE . 52.6 mt-10 -146.15 130.61 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 3.3 mtmm -80.2 144.08 33.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -140.87 111.9 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.834 ' HA ' HG12 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -85.76 149.85 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -127.16 -154.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -108.16 163.1 17.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.446 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -74.96 -2.91 13.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.488 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -112.99 -4.51 13.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.58 125.07 25.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.1 mt -53.72 142.13 24.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.433 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -108.14 19.02 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 54' ' ' ALA . 47.4 mm -85.9 145.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CD1' HG13 ' A' ' 55' ' ' ILE . 63.1 m-85 -140.74 138.85 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.446 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 8.0 p -104.82 153.93 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.705 ' CD1' ' O ' ' A' ' 93' ' ' ASN . 54.5 m-85 -155.44 175.97 13.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -91.47 124.1 35.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.705 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.611 ' HA ' ' CD1' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 124.48 8.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 8.6 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.713 HG21 HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -134.94 148.09 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.909 ' SG ' HG21 ' A' ' 35' ' ' ILE . 10.8 t -113.25 115.54 28.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -90.57 121.85 32.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.463 HG11 HG11 ' A' ' 39' ' ' VAL . 23.0 t -120.07 98.62 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.4 m-85 -70.07 113.1 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.517 HD11 ' CG2' ' A' ' 22' ' ' VAL . 12.0 mt -72.42 -60.9 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.483 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 66.9 p -106.83 -135.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.79 -33.16 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -128.22 35.87 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.483 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 3.4 m -139.3 143.08 37.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -159.17 -178.58 7.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.58 HG11 ' HG2' ' A' ' 42' ' ' LYS . 4.1 t -142.64 141.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.0 p -100.54 91.21 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.568 ' HB ' HG23 ' A' ' 35' ' ' ILE . 90.6 t -90.79 123.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.5 98.91 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.571 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -117.84 -179.79 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -74.42 176.45 6.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.2 p -80.44 -7.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 t -139.72 31.45 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -76.43 160.06 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.987 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 67' ' ' ASN . 13.2 pt -92.59 166.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 1.044 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -60.78 -43.5 98.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.525 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -48.62 -43.31 36.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 38' ' ' VAL . 25.7 mm-40 -58.07 -20.75 41.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.909 HG21 ' SG ' ' A' ' 12' ' ' CYS . 4.5 mm -101.12 -48.27 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.768 ' HB2' HD21 ' A' ' 52' ' ' LEU . 13.0 tp -56.44 -39.48 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -62.49 -31.13 71.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.957 HG12 ' HE3' ' A' ' 42' ' ' LYS . 12.5 t -83.61 -56.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.463 HG11 HG11 ' A' ' 14' ' ' VAL . 95.0 t -48.59 -54.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.39 -49.25 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -69.1 -44.6 72.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.957 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -51.93 -29.62 20.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 50' ' ' LEU . 2.5 pt -104.17 -18.71 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ALA . 34.7 mt-30 78.61 55.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -132.41 -160.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.611 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -114.57 103.94 11.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.737 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -45.33 -42.91 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -60.12 -31.1 69.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.611 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 44.8 m-20 -88.11 -3.88 58.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.628 ' HB3' HD11 ' A' ' 36' ' ' LEU . 80.9 mt -108.03 177.1 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HB1' ' CG ' ' A' ' 63' ' ' GLU . . . -168.49 144.88 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.044 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.5 mm? -83.13 119.11 24.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 61' ' ' LYS . 75.0 t -107.68 109.65 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.711 ' CB ' HD21 ' A' ' 64' ' ' LEU . . . -88.77 143.99 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.626 HD13 ' HA ' ' A' ' 61' ' ' LYS . 4.1 mm -115.73 146.04 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -120.57 -178.59 3.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.433 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -44.9 166.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.24 -72.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.2 68.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -126.8 124.11 38.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.626 ' HA ' HD13 ' A' ' 55' ' ' ILE . 7.5 mttt -90.32 148.67 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -149.97 126.25 10.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.547 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.436 ' CG ' ' HB1' ' A' ' 51' ' ' ALA . 1.2 tt0 -89.08 115.52 26.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.711 HD21 ' CB ' ' A' ' 54' ' ' ALA . 2.5 mm? -75.36 -123.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.699 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 7.7 mt-30 -157.86 170.65 8.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.699 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.99 8.37 2.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.683 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -123.66 -34.32 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.457 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -50.47 125.34 12.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 30' ' ' SER . 20.7 mt -50.25 152.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.461 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.9 -14.61 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.713 HD13 HG21 ' A' ' 10' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 81' ' ' ILE . 4.3 mp -110.33 158.66 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.468 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 96.2 m-85 -140.55 176.91 8.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 2.5 p -134.09 128.04 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.433 ' OH ' ' CD ' ' A' ' 61' ' ' LYS . 5.1 m-85 -116.56 170.06 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 4.4 ttm105 -97.18 120.71 38.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -178.48 4.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -135.64 147.28 48.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 35' ' ' ILE . 38.1 t -108.9 95.34 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.412 ' HB2' ' NH1' ' A' ' 80' ' ' ARG . 13.3 m80 -80.71 111.74 17.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.725 HG22 HG13 ' A' ' 22' ' ' VAL . 3.2 m -108.39 128.71 63.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.563 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.9 m-30 -95.67 115.06 26.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' SER . 2.7 mt -64.45 -56.54 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.413 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 71.0 p -118.83 -134.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.2 -37.98 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.25 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -125.52 35.39 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.58 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' ILE . 1.5 m -139.77 137.03 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 24.4 p90 -160.63 171.27 19.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.037 HG11 HG13 ' A' ' 39' ' ' VAL . 2.5 p -144.5 122.97 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -76.23 147.42 38.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.802 HG11 HG23 ' A' ' 35' ' ' ILE . 38.1 t -139.25 127.36 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 tttt -91.31 98.46 11.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.617 ' HB1' ' CB ' ' A' ' 30' ' ' SER . . . -120.94 178.94 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -80.49 171.08 15.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.96 -13.4 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.414 ' HA ' HD11 ' A' ' 69' ' ' LEU . 6.3 t -126.21 26.95 6.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.617 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -82.09 129.09 34.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.679 HD12 ' HB3' ' A' ' 33' ' ' GLN . 8.5 pt -70.55 163.7 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.712 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -57.74 -40.79 80.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.679 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.5 tp-100 -51.24 -44.19 61.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.692 ' O ' HG23 ' A' ' 38' ' ' VAL . 50.2 mm-40 -60.59 -15.37 27.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.903 HG13 HG21 ' A' ' 70' ' ' VAL . 5.4 mm -97.12 -50.43 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.914 HD11 ' CB ' ' A' ' 50' ' ' LEU . 21.3 tp -52.04 -45.65 64.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -58.53 -27.71 64.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.7 HG12 ' CE ' ' A' ' 42' ' ' LYS . 19.9 t -85.8 -48.56 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.037 HG13 HG11 ' A' ' 22' ' ' VAL . 95.8 t -57.74 -51.98 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.77 -46.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -39.42 74.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.875 ' HB3' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -62.81 -20.26 64.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.556 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -120.23 5.77 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' ALA . 29.0 mt-30 50.07 62.73 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.556 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -135.84 -161.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -116.67 105.3 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.765 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.7 pt-20 -44.09 -47.26 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.1 -26.91 61.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.533 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 49.9 m-20 -91.51 -4.53 55.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.914 ' CB ' HD11 ' A' ' 36' ' ' LEU . 81.1 mt -107.12 168.73 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -153.32 136.81 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.843 HD21 ' HB2' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -82.42 111.62 18.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 82' ' ' TYR . 59.5 t -115.56 131.84 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -105.21 156.5 18.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.571 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.4 mt -126.86 157.87 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -107.6 168.96 8.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -46.25 -58.3 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 63.4 m -44.42 -65.5 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.91 74.58 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -145.75 123.45 11.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 0.771 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 7.3 mtmt -70.87 141.7 51.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -139.16 112.13 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.83 132.7 35.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -114.55 -159.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -105.67 163.63 16.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.55 3.07 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -77.12 112.05 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -47.8 131.26 14.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.903 HG21 HG13 ' A' ' 35' ' ' ILE . 4.1 m -93.68 24.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 mm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 13' ' ' HIS . 1.2 mmp_? . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.416 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 42.7 mm -87.32 159.21 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' HG13 ' A' ' 55' ' ' ILE . 33.8 m-85 -141.03 142.8 34.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.54 HG11 HG11 ' A' ' 39' ' ' VAL . 3.4 p -110.68 152.63 12.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.69 ' CD1' ' O ' ' A' ' 93' ' ' ASN . 57.3 m-85 -154.35 177.54 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.576 ' HG2' ' CE1' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -99.0 117.94 34.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.69 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 14.3 m-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.568 ' HA ' ' CD1' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -75.03 132.92 15.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.576 ' CE1' ' HG2' ' A' ' 85' ' ' ARG . 33.8 m-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.44 154.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.751 . . . . 0.0 110.053 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -166.92 101.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.6 139.79 35.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -85.19 122.76 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.025 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -164.3 122.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . 66.29 -179.93 11.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER 35.22 40.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.29 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.41 120.28 24.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.467 HG12 ' CD1' ' A' ' 71' ' ' ILE . 0.6 OUTLIER -148.37 178.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 7.8 m-85 -134.98 150.94 50.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' SG ' HG21 ' A' ' 35' ' ' ILE . 36.3 t -111.35 124.4 52.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.427 1.08 . . . . 0.0 108.287 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -88.18 119.92 29.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.543 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.626 HG11 HG11 ' A' ' 39' ' ' VAL . 2.4 t -121.62 106.63 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.481 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 m-85 -81.65 122.36 27.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.0 mt -82.13 -57.16 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.479 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 68.6 p -113.81 -139.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.0 -36.37 15.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -130.06 37.65 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.622 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.479 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 3.8 m -139.2 145.31 39.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.97 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 0.8 OUTLIER -159.48 -178.51 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 111.012 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.996 HG11 HG13 ' A' ' 39' ' ' VAL . 2.8 p -143.38 123.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 p -78.11 119.61 21.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.518 HG11 HG23 ' A' ' 35' ' ' ILE . 74.0 t -118.99 130.11 74.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -97.35 99.59 11.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -123.17 179.08 4.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -73.57 176.04 6.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.236 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -81.19 -11.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.408 ' O ' HD11 ' A' ' 69' ' ' LEU . 33.1 t -134.8 32.87 3.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.4 138.84 33.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 67' ' ' ASN . 14.2 pt -67.7 164.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.845 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -60.64 -44.23 96.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.502 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -47.85 -42.84 27.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.334 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.727 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.1 mm-40 -56.8 -20.68 23.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.518 HG23 HG11 ' A' ' 24' ' ' VAL . 6.1 mm -97.28 -47.05 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.704 ' HB2' HD21 ' A' ' 52' ' ' LEU . 15.0 tp -55.31 -42.73 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.14 -29.87 70.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 34' ' ' GLU . 17.4 t -82.88 -56.97 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.996 HG13 HG11 ' A' ' 22' ' ' VAL . 65.6 t -52.21 -53.04 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -37.65 -47.6 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -43.32 64.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.709 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.92 -17.95 41.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.842 HD11 HD11 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -111.79 -15.73 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 40' ' ' ALA . 40.2 mt-30 73.92 59.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.506 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -143.38 -161.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -116.11 108.46 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.69 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.3 pt-20 -46.37 -41.83 14.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.252 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -60.7 -28.9 68.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -91.78 -4.53 54.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.842 HD11 HD11 ' A' ' 43' ' ' ILE . 89.6 mt -108.35 176.76 5.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -162.92 147.77 11.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.845 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.1 mm? -83.79 116.27 22.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.792 HG22 ' OE2' ' A' ' 63' ' ' GLU . 54.6 t -102.09 112.2 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.35 119.27 32.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.4 mt -115.28 154.89 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -107.5 177.13 4.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.84 -56.95 15.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.75 -44.64 3.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.05 77.85 0.83 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.445 ' O ' HG23 ' A' ' 55' ' ' ILE . 17.3 mt-10 -143.42 122.92 13.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.762 . . . . 0.0 110.285 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.556 ' HD3' ' CE2' ' A' ' 84' ' ' TYR . 0.9 OUTLIER -71.6 142.77 49.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.75 142.12 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.574 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.792 ' OE2' HG22 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -119.33 147.6 44.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.36 -157.97 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -105.9 163.11 17.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.03 16.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.584 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -107.94 -4.53 17.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -73.98 138.69 44.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 69' ' ' LEU . 1.7 tp -59.3 156.12 13.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.476 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.68 -41.65 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 10' ' ' ILE . 4.2 tt -113.33 70.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.459 ' HB3' HD23 ' A' ' 69' ' ' LEU . 23.8 p -108.74 -56.16 2.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.0 82.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.423 ' OG ' HD23 ' A' ' 75' ' ' LEU . 20.4 t -82.6 -55.8 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.969 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.423 HD23 ' OG ' ' A' ' 74' ' ' SER . 0.5 OUTLIER -161.72 82.26 0.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -161.95 108.51 1.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.66 108.68 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.66 157.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 177.51 150.19 8.33 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.436 1.085 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.03 120.29 10.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 0.739 . . . . 0.0 110.261 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 52.1 mt -86.79 158.64 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.481 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 77.6 m-85 -138.18 177.53 7.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 3.1 p -136.63 127.7 42.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.765 ' CD1' HG21 ' A' ' 53' ' ' VAL . 5.8 m-85 -118.31 160.44 21.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -93.3 124.63 37.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -64.45 112.66 3.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.79 -165.77 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.718 ' N ' HD23 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -95.14 8.39 43.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' THR . . . -122.94 143.28 50.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -40.06 -41.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.357 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' ALA . 2.5 p -58.26 168.83 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.759 HD12 ' CD ' ' A' ' 63' ' ' GLU . 7.2 mt -118.68 -52.37 2.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 61.84 141.05 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -166.23 0.33 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 20.9 m-85 -105.68 -174.43 2.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -115.5 -54.69 2.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -175.28 -59.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 m120 41.18 86.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.47 167.5 1.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.96 -177.06 16.54 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.436 1.085 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.03 43.18 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.95 146.28 27.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t 39.56 90.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.024 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -141.37 -58.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 0.77 . . . . 0.0 110.004 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 m -73.47 141.0 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.52 -151.12 21.58 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t 63.29 72.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 110.023 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.36 -177.05 2.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.73 141.22 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.502 ' HB3' HG13 ' A' ' 28' ' ' VAL . 14.8 mt-10 -138.93 61.62 1.56 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 0.78 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -84.12 113.65 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -166.07 159.92 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -130.97 143.37 50.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.954 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.494 ' SG ' HG21 ' A' ' 35' ' ' ILE . 42.4 t -107.71 102.91 12.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 108.309 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -73.7 118.83 17.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.563 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.625 HG11 HG11 ' A' ' 39' ' ' VAL . 2.3 t -119.21 102.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.517 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 m-85 -77.64 127.64 32.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.8 mt -87.67 -54.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.9 p -117.02 -139.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.517 ' HG3' ' CG ' ' A' ' 19' ' ' HIS . 10.5 pt-20 -85.54 -42.94 13.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.243 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.517 ' CG ' ' HG3' ' A' ' 18' ' ' GLU . 8.2 m170 -125.77 35.38 4.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -134.26 143.64 47.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -159.38 -178.34 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.928 HG11 HG13 ' A' ' 39' ' ' VAL . 2.7 p -144.06 122.19 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -74.87 128.14 34.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.971 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.648 HG11 HG23 ' A' ' 35' ' ' ILE . 96.6 t -130.02 122.92 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -92.16 98.8 11.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.703 ' HB1' ' CB ' ' A' ' 30' ' ' SER . . . -112.39 -179.83 3.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.3 mmtt -82.41 176.44 9.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG13 ' HB3' ' A' ' 8' ' ' GLU . 15.2 m -74.04 -19.22 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.49 ' HA ' HD11 ' A' ' 69' ' ' LEU . 27.3 t -121.39 16.04 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.703 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -62.09 144.14 55.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.002 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.596 HG21 ' ND2' ' A' ' 67' ' ' ASN . 10.3 pt -88.62 164.23 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 1.022 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -57.73 -40.2 79.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.512 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -53.93 -41.06 67.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.64 ' O ' HG23 ' A' ' 38' ' ' VAL . 36.6 mt-10 -59.2 -15.07 12.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.648 HG23 HG11 ' A' ' 24' ' ' VAL . 6.6 mm -103.44 -48.03 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.677 HD13 HD13 ' A' ' 52' ' ' LEU . 13.2 tp -57.6 -39.24 76.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HE2' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.32 -30.28 71.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.738 HG12 ' CE ' ' A' ' 42' ' ' LYS . 12.2 t -84.79 -52.54 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.928 HG13 HG11 ' A' ' 22' ' ' VAL . 62.9 t -54.94 -52.64 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' VAL . . . -38.24 -46.33 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -42.46 65.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.738 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.99 -18.25 56.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -111.57 -13.74 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' ALA . 25.5 mt-30 71.89 60.39 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -144.0 -163.33 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -115.0 106.7 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.674 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -44.95 -41.15 7.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 4.2 pt-20 -60.77 -33.47 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 46' ' ' ALA . 67.4 m-20 -87.25 -4.83 59.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 43' ' ' ILE . 89.4 mt -107.56 -179.78 4.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.659 ' HB2' ' HD2' ' A' ' 86' ' ' LYS . . . -165.98 148.25 7.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.085 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.022 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.6 OUTLIER -83.56 114.51 21.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.271 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.632 HG21 ' CD1' ' A' ' 84' ' ' TYR . 8.8 t -100.56 116.18 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.252 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -103.34 107.25 18.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 2.8 mt -86.23 158.14 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.3 t -106.99 167.79 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.392 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -48.85 -60.88 2.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.8 m -39.65 -67.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.971 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.04 72.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -151.18 129.44 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 110.314 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.472 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -72.11 150.95 43.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.97 118.84 6.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.605 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.13 149.67 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -130.15 -159.58 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.08 164.31 16.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -2.4 12.5 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.596 ' ND2' HG21 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -137.31 44.88 2.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 69' ' ' LEU . 26.8 t70 -96.04 -12.82 24.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.49 HD11 ' HA ' ' A' ' 29' ' ' SER . 0.1 OUTLIER 84.7 128.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.93 45.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 71' ' ' ILE . 0.8 OUTLIER 178.27 50.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.7 m -179.44 99.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.88 47.9 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.438 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.7 OUTLIER 40.01 40.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 74' ' ' SER . 0.1 OUTLIER -163.32 -51.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 64.15 155.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 51.77 178.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.4 m 62.35 165.42 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.43 167.35 40.14 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.512 ' HG2' ' CZ ' ' A' ' 15' ' ' TYR . 5.7 mtm180 -144.19 110.97 5.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.558 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.0 mm -78.11 155.59 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 73.3 m-85 -138.83 177.18 8.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -135.76 134.13 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.748 ' HB3' HD22 ' A' ' 92' ' ' LEU . 11.0 m-85 -127.65 169.79 13.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.541 ' HG3' ' CZ ' ' A' ' 95' ' ' PHE . 50.3 mtm180 -96.77 137.31 36.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.659 ' HD2' ' HB2' ' A' ' 51' ' ' ALA . 13.5 mtpt -107.88 129.81 55.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -173.86 176.99 2.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.703 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -41.28 99.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 88' ' ' LEU . . . 161.42 -27.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER 72.77 -59.72 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.4 m -52.27 176.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.748 HD22 ' HB3' ' A' ' 84' ' ' TYR . 38.2 mt -134.11 125.53 28.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.148 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -107.71 151.29 41.05 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 153.55 41.69 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.442 1.759 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.541 ' CZ ' ' HG3' ' A' ' 85' ' ' ARG . 14.8 m-85 -78.27 -177.64 5.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 44.06 76.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -98.6 69.55 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -136.83 -55.4 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 p -101.17 159.55 15.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.95 163.31 12.17 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.52 5.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.505 1.792 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.41 139.15 39.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.96 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.03 136.39 57.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.136 . . . . 0.0 111.018 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.21 137.93 33.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.962 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.59 -57.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.73 100.54 0.21 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.68 98.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -167.72 -58.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.04 80.36 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -169.24 50.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.783 . . . . 0.0 110.253 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -74.27 125.72 29.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.6 HD13 ' CD1' ' A' ' 71' ' ' ILE . 1.3 tt -163.9 152.89 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -123.27 156.18 35.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.842 ' SG ' HG21 ' A' ' 35' ' ' ILE . 26.4 t -123.18 112.86 18.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.425 1.078 . . . . 0.0 108.281 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -86.44 120.75 28.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.583 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.976 HG21 HG21 ' A' ' 39' ' ' VAL . 53.0 t -114.15 98.78 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -73.48 105.12 4.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.655 HD11 ' CG2' ' A' ' 22' ' ' VAL . 9.0 mt -63.09 -59.16 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.7 p -115.48 -139.24 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.432 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -94.53 -34.1 12.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.264 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -123.03 31.6 5.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 m -139.68 144.85 37.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -159.62 178.17 10.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.655 ' CG2' HD11 ' A' ' 16' ' ' ILE . 2.9 t -141.18 139.61 32.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p -96.02 95.65 8.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.789 HG11 HG23 ' A' ' 35' ' ' ILE . 96.5 t -97.23 148.21 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -98.92 98.84 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.751 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -100.02 179.81 4.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -116.51 177.41 4.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 p -73.34 -11.09 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.8 m -147.33 46.96 1.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.8 t -102.59 138.95 38.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.667 HD12 ' HB3' ' A' ' 33' ' ' GLN . 11.4 pt -74.97 162.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.997 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -60.82 -41.52 95.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.667 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -49.11 -43.73 41.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.69 ' O ' HG23 ' A' ' 38' ' ' VAL . 64.1 mm-40 -56.02 -19.6 13.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.842 HG21 ' SG ' ' A' ' 12' ' ' CYS . 10.7 mm -100.67 -47.7 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.695 HD21 ' O ' ' A' ' 47' ' ' GLU . 13.2 tp -56.41 -39.34 72.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.452 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -64.02 -31.2 72.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.712 HG12 ' CE ' ' A' ' 42' ' ' LYS . 12.4 t -82.75 -52.88 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.976 HG21 HG21 ' A' ' 14' ' ' VAL . 45.1 t -54.99 -52.43 43.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -38.51 -45.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.58 -43.24 63.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.712 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.6 -18.49 41.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -111.51 -16.89 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.0 mt-30 73.91 60.67 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.344 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.748 ' HB3' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -142.44 -162.1 1.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -114.52 104.6 12.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.695 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.6 pt-20 -44.52 -40.3 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -60.58 -35.86 77.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' ALA . 80.4 m-20 -87.33 -4.89 59.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' A' ' 45' ' ' TYR . 92.0 mt -107.94 -179.42 3.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -168.8 146.15 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.997 HD12 ' HB1' ' A' ' 32' ' ' ALA . 44.4 mt -83.34 112.68 20.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 62' ' ' HIS . 74.6 t -101.94 127.81 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -106.26 147.61 28.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 61' ' ' LYS . 16.2 mm -112.24 149.67 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.2 t -120.94 -178.42 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -50.62 162.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.93 -65.2 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.972 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 145.42 72.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -136.93 111.95 8.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 0.743 . . . . 0.0 110.271 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.749 ' HA ' HD13 ' A' ' 55' ' ' ILE . 1.4 ptpt -79.95 153.17 29.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.515 ' O ' HG13 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -138.34 156.34 47.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.56 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 92' ' ' LEU . 2.2 tt0 -118.04 115.04 24.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -95.32 -159.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -110.74 163.68 16.69 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.43 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.3 Cg_endo -74.94 -1.22 10.92 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.539 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -111.57 -8.72 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.02 128.74 37.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 69' ' ' LEU . 22.0 mt -56.93 146.17 27.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.71 34.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.6 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -155.87 50.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.87 137.25 3.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.48 160.99 41.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.9 m -51.98 -60.37 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.85 48.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.26 158.34 15.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.583 1.177 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -112.93 -69.01 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.362 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.7 m -88.91 159.81 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.986 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.43 159.17 9.18 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.34 -164.05 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 mm -124.22 150.99 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.616 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 78.3 m-85 -123.47 177.2 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.588 ' O ' ' CE2' ' A' ' 95' ' ' PHE . 0.2 OUTLIER -140.21 131.4 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.658 ' HB3' HD22 ' A' ' 92' ' ' LEU . 9.0 m-85 -125.73 151.36 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.736 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -92.81 134.41 35.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.7 mttt -85.58 142.05 29.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -171.94 -75.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 50.6 mt -70.78 95.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 51.72 -143.51 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -96.28 31.35 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -91.89 170.7 9.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.658 HD22 ' HB3' ' A' ' 84' ' ' TYR . 87.4 mt -151.58 125.79 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -119.9 152.08 53.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 120.0 5.89 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.588 ' CE2' ' O ' ' A' ' 83' ' ' VAL . 18.3 m-85 -40.9 -63.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -137.01 80.84 1.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.5 -63.32 1.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.84 104.56 16.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.08 100.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -173.15 -179.89 44.13 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -41.45 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.958 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.9 p -97.3 162.18 13.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.45 81.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 110.026 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.558 1.161 . . . . 0.0 110.997 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -105.63 170.56 7.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.007 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.09 91.01 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.0 -147.44 5.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -140.83 93.07 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.751 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.79 147.21 36.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.1 122.15 5.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 178.9 60.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.95 130.13 36.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.707 HG21 HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -154.7 169.22 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.496 ' CZ ' ' HD2' ' A' ' 25' ' ' LYS . 2.1 m-85 -134.29 138.15 44.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -103.48 128.39 50.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.266 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -91.33 109.18 20.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.775 HG11 HG21 ' A' ' 39' ' ' VAL . 1.8 t -111.96 103.98 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.555 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 3.3 m-85 -78.15 144.51 36.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' ' 95' ' ' PHE . 23.4 mt -106.82 -56.7 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.428 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.2 p -111.35 -137.88 0.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.399 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' N ' ' OG1' ' A' ' 17' ' ' THR . 2.8 tt0 -91.84 -30.45 16.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -136.65 41.07 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.628 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -139.16 141.67 38.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.971 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -159.2 -178.19 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.578 HG11 HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -142.51 133.52 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.2 p -90.02 101.33 14.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.567 1.167 . . . . 0.0 110.002 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.626 HG11 HG23 ' A' ' 35' ' ' ILE . 94.1 t -99.35 122.98 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 11' ' ' PHE . 3.3 tttt -92.33 98.78 11.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.541 ' HB1' ' CB ' ' A' ' 30' ' ' SER . . . -117.73 -179.78 3.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -75.15 176.51 7.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.7 p -80.7 -3.55 6.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 m -138.03 26.83 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.541 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -75.44 147.96 39.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.99 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 66' ' ' PRO . 10.9 pt -87.17 164.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 1.069 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -55.69 -41.9 74.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.9 tp60 -54.03 -39.35 66.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' C ' HD13 ' A' ' 35' ' ' ILE . 2.2 mm-40 -63.08 -11.88 22.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.626 HG23 HG11 ' A' ' 24' ' ' VAL . 7.4 mm -107.65 -44.24 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.72 HD21 ' O ' ' A' ' 47' ' ' GLU . 13.4 tp -58.79 -39.76 82.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.641 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.48 -30.82 70.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.641 HG22 ' HE3' ' A' ' 37' ' ' LYS . 16.4 t -82.25 -57.61 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.775 HG21 HG11 ' A' ' 14' ' ' VAL . 93.5 t -47.71 -55.15 2.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.39 -42.9 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -43.3 62.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.625 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -56.64 -25.16 52.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 50' ' ' LEU . 1.4 pt -107.2 -17.96 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 40' ' ' ALA . 20.3 mt-30 74.95 59.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.512 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -137.49 -162.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.487 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -111.45 103.8 12.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.72 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.6 pt-20 -43.7 -40.91 4.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -60.18 -37.56 80.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.487 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 75.8 m-20 -80.23 -7.9 59.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.689 HD11 HD11 ' A' ' 43' ' ' ILE . 92.8 mt -107.83 176.01 5.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.56 141.44 7.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.069 HD12 ' HB1' ' A' ' 32' ' ' ALA . 43.2 mt -84.04 113.75 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.637 HG11 ' CD1' ' A' ' 92' ' ' LEU . 1.7 m -115.99 133.04 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.817 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -108.77 139.09 44.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.7 mt -104.79 153.81 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 57' ' ' PHE . 7.8 t -116.08 -175.46 2.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 110.367 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' N ' ' OG1' ' A' ' 56' ' ' THR . 2.3 t80 -51.46 164.6 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m 69.14 -65.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 57' ' ' PHE . . . 145.34 86.52 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.53 1.144 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 55' ' ' ILE . 20.3 mt-10 -145.98 118.56 8.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 0.789 . . . . 0.0 110.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -70.66 152.46 43.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -149.99 110.28 4.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.559 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.401 ' CG ' HG12 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -87.36 131.64 34.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.935 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -108.05 -158.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -108.2 163.51 16.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.4 Cg_endo -74.98 -4.01 14.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.403 ' O ' HG22 ' A' ' 31' ' ' ILE . 2.3 m120 -112.67 0.04 15.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.15 141.72 52.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 69' ' ' LEU . 12.0 mt -70.43 134.89 48.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.455 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -106.88 30.93 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.707 HD13 HG21 ' A' ' 10' ' ' ILE . 1.1 tt -168.14 65.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.8 t -138.27 -49.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.48 115.28 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.47 59.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.41 66.81 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.15 -52.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 60.84 54.09 3.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.3 p -178.99 64.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.966 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' O ' ' CD ' ' A' ' 80' ' ' ARG . . . -153.88 175.83 32.03 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.124 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.555 ' HG2' ' CE1' ' A' ' 15' ' ' TYR . 3.9 mpt_? -172.67 136.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 0.0 110.263 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.817 HD13 ' HB2' ' A' ' 54' ' ' ALA . 25.0 mm -79.23 141.65 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.559 ' CD1' HG13 ' A' ' 55' ' ' ILE . 92.4 m-85 -122.98 177.27 5.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 p -142.58 127.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.829 ' HB2' HD13 ' A' ' 92' ' ' LEU . 5.7 m-85 -119.1 155.77 30.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 95' ' ' PHE . 28.3 mtp180 -88.42 132.01 34.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -78.38 141.54 38.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -59.55 1.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.872 ' C ' HD12 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -177.1 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.49 ' N ' HD12 ' A' ' 88' ' ' LEU . . . -95.27 -149.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -101.82 45.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.69 150.27 38.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.371 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.829 HD13 ' HB2' ' A' ' 84' ' ' TYR . 13.5 mt -131.71 132.69 44.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -110.65 132.95 21.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 131.28 14.08 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.496 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 0.9 OUTLIER -50.92 149.87 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -105.96 126.25 51.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.76 140.8 10.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -155.63 125.56 6.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.33 118.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.966 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -120.16 -164.09 12.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 158.66 42.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.796 . . . . 0.0 110.951 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.6 t 62.03 104.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.1 p -60.83 -58.83 6.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 t -135.29 98.2 3.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.4 p -150.17 117.62 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.047 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.31 -133.52 20.07 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 67.86 157.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 0.752 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 p -164.76 171.55 14.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.479 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . 105.07 167.54 24.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 2.9 mp0 66.53 -66.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 110.305 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 7' ' ' GLY . 5.0 mt-10 66.39 94.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -166.92 155.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 25' ' ' LYS . 2.7 m-85 -132.32 149.31 52.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.929 ' SG ' HG21 ' A' ' 35' ' ' ILE . 11.0 t -108.86 100.25 9.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 108.305 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.83 112.82 15.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.604 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 40.4 t -109.87 98.63 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.618 ' CE2' ' NE ' ' A' ' 80' ' ' ARG . 3.3 m-85 -72.09 104.99 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.689 HD11 ' CG2' ' A' ' 22' ' ' VAL . 10.5 mt -63.41 -58.09 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.657 HG21 ' HB2' ' A' ' 97' ' ' GLU . 15.4 p -115.21 -138.87 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.7 -33.87 13.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -124.76 32.56 5.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.622 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -139.61 143.44 37.25 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 9.8 p90 -159.72 178.68 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.689 ' CG2' HD11 ' A' ' 16' ' ' ILE . 2.3 t -145.36 127.31 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.436 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -90.96 97.64 11.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.015 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.498 ' HB ' HG23 ' A' ' 35' ' ' ILE . 79.9 t -97.09 122.11 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 11' ' ' PHE . 3.1 tppt? -85.65 98.96 10.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.564 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -116.05 179.83 3.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -76.25 176.37 8.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 p -80.25 -10.92 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.519 ' O ' HD11 ' A' ' 69' ' ' LEU . 34.8 t -133.16 30.52 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.16 147.18 30.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' A' ' 33' ' ' GLN . 13.8 pt -82.04 164.89 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 1.005 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -62.05 -42.32 99.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.531 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -48.77 -43.27 37.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.767 ' O ' HG23 ' A' ' 38' ' ' VAL . 23.5 mt-10 -57.34 -24.22 53.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.929 HG21 ' SG ' ' A' ' 12' ' ' CYS . 6.5 mm -93.66 -50.73 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.781 HD21 ' O ' ' A' ' 47' ' ' GLU . 18.3 tp -50.85 -44.04 59.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.466 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.44 -31.09 68.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 34' ' ' GLU . 20.8 t -79.63 -64.05 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 43' ' ' ILE . 96.3 t -44.77 -53.64 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.08 -43.1 1.54 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 1.1 mm-40 -72.73 -44.61 61.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.632 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.23 -25.42 23.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.622 HD11 HD11 ' A' ' 50' ' ' LEU . 1.6 pt -107.7 -18.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 40' ' ' ALA . 37.3 mt-30 75.06 57.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.518 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -133.87 -161.53 1.15 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -112.81 102.24 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.781 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.6 pt-20 -41.2 -42.7 2.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -58.19 -41.32 83.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 46' ' ' ALA . 35.0 m-20 -76.41 -6.95 53.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 43' ' ' ILE . 97.0 mt -107.53 176.42 5.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -163.87 147.57 10.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.005 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -83.16 114.5 21.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 82' ' ' TYR . 4.1 t -101.23 119.16 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.72 108.48 20.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mt -91.11 157.65 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.8 t -118.7 174.71 6.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.425 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.426 ' N ' ' OG1' ' A' ' 56' ' ' THR . 7.8 t80 -68.42 59.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' THR . 44.3 t -175.0 34.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' SER . . . 37.51 51.55 1.83 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -124.18 112.31 16.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 110.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 84' ' ' TYR . 2.5 mtmp? -70.58 139.41 51.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.95 117.01 12.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.592 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -92.29 153.23 19.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -132.63 -159.6 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -106.5 163.07 17.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.426 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -74.99 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.489 1.784 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.29 1.08 15.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.3 128.08 32.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.519 HD11 ' O ' ' A' ' 29' ' ' SER . 1.9 tp -52.5 149.81 5.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.444 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -111.7 4.03 8.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.5 mp -112.91 -61.53 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.4 p 51.03 -165.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.11 -172.27 3.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.512 ' O ' HD22 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -124.74 65.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.512 HD22 ' O ' ' A' ' 74' ' ' SER . 0.4 OUTLIER -120.17 32.11 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -140.38 160.05 40.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.78 178.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.1 p -39.59 -53.01 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 57.23 176.47 0.4 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.618 ' NE ' ' CE2' ' A' ' 15' ' ' TYR . 5.0 mtp180 -175.23 136.55 0.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 81' ' ' ILE . 2.9 mp -94.63 148.27 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' VAL . 48.8 m-85 -135.33 177.07 8.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 111.035 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 3.5 p -137.28 126.93 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.771 ' CB ' HD22 ' A' ' 92' ' ' LEU . 6.6 m-85 -121.75 156.22 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.483 ' HA ' HD23 ' A' ' 50' ' ' LEU . 1.5 tmt_? -85.21 115.84 23.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.429 ' HG2' HD21 ' A' ' 92' ' ' LEU . 7.8 mtpt -64.78 132.36 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.814 ' C ' HD23 ' A' ' 88' ' ' LEU . 20.3 m-20 -140.59 -169.5 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.865 ' N ' HD23 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -102.91 108.72 20.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 88' ' ' LEU . . . 178.24 -77.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 165.05 -44.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.7 m -93.24 161.35 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.771 HD22 ' CB ' ' A' ' 84' ' ' TYR . 6.3 mt -96.21 151.72 19.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -127.19 134.07 25.74 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -164.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.49 1.784 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -115.62 -172.07 2.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -96.7 136.58 37.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.657 ' HB2' HG21 ' A' ' 17' ' ' THR . 0.3 OUTLIER 170.96 172.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 26.1 t30 178.64 168.67 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.8 m 64.2 151.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.32 161.21 8.74 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -164.67 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 t -163.29 165.64 23.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 88.6 p -167.55 145.06 4.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.35 152.46 34.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 0.792 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.74 152.14 48.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.45 127.06 0.85 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -151.83 152.97 33.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 0.0 110.005 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 p -107.91 176.64 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.992 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.65 139.21 9.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.547 1.154 . . . . 0.0 111.052 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 60.15 75.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.2 145.44 46.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.662 HD13 ' CD1' ' A' ' 71' ' ' ILE . 1.3 tt -151.68 178.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.533 ' CE2' ' HE2' ' A' ' 25' ' ' LYS . 5.9 m-85 -121.39 137.73 54.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.668 ' SG ' HG21 ' A' ' 35' ' ' ILE . 9.0 t -111.2 121.89 46.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 108.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -90.66 113.84 25.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.623 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.606 HG11 HG21 ' A' ' 39' ' ' VAL . 2.0 t -117.32 99.62 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.516 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.3 m-85 -74.68 125.91 29.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 12.1 mt -86.49 -56.06 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 6.1 p -116.74 -137.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' HG3' ' CG ' ' A' ' 19' ' ' HIS . 10.1 pt-20 -85.72 -43.17 13.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CG ' ' HG3' ' A' ' 18' ' ' GLU . 6.5 m170 -127.19 42.8 3.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.574 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.51 139.84 37.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.0 p90 -159.37 -178.48 7.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 39' ' ' VAL . 1.4 p -142.73 129.41 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.4 p -87.77 103.5 15.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.965 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.568 HG11 ' HA ' ' A' ' 35' ' ' ILE . 60.6 t -105.47 124.28 60.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.533 ' HE2' ' CE2' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -80.6 99.21 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.859 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -107.03 171.98 7.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -88.14 175.83 7.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.0 p -72.76 -12.34 15.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 t -141.47 42.57 1.75 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -91.19 154.5 19.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.037 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.735 HD12 ' HB3' ' A' ' 33' ' ' GLN . 10.9 pt -88.6 165.16 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.812 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -63.04 -42.25 99.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.735 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -48.22 -42.55 30.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 38' ' ' VAL . 39.4 mt-10 -57.28 -16.7 9.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.859 HD11 ' HB2' ' A' ' 26' ' ' ALA . 7.9 mm -102.69 -50.03 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.723 HD21 ' O ' ' A' ' 47' ' ' GLU . 13.6 tp -55.44 -39.26 70.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -63.41 -31.66 72.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.94 HG12 ' HE3' ' A' ' 42' ' ' LYS . 12.1 t -83.65 -53.81 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.606 HG21 HG11 ' A' ' 14' ' ' VAL . 74.2 t -50.17 -55.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.76 -48.4 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -44.13 71.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.94 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.43 -23.61 10.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.4 pt -110.32 -18.58 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ALA . 17.6 mt-30 78.91 55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.5 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -133.8 -161.83 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.52 103.67 11.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.723 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.7 pt-20 -45.39 -38.98 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 9.0 pt-20 -61.66 -34.46 75.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' ALA . 50.4 m-20 -84.43 -4.48 58.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.529 ' CB ' HD11 ' A' ' 36' ' ' LEU . 96.0 mt -108.18 -179.75 3.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -169.01 149.78 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.812 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.4 mm? -83.7 117.32 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.512 HG21 ' CD1' ' A' ' 84' ' ' TYR . 96.8 t -106.33 126.69 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . . . -107.32 140.08 40.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.585 ' CG1' ' CE1' ' A' ' 82' ' ' TYR . 10.2 mm -111.34 125.79 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.634 HG22 ' HG2' ' A' ' 60' ' ' GLU . 10.2 t -89.3 178.73 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.359 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.577 ' CD1' ' N ' ' A' ' 58' ' ' SER . 6.9 p90 -61.29 -40.88 95.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.577 ' N ' ' CD1' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -55.99 -22.08 24.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.21 -22.42 33.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.634 ' HG2' HG22 ' A' ' 56' ' ' THR . 1.3 pt-20 -61.9 153.57 28.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 0.775 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.559 ' CB ' ' CD1' ' A' ' 55' ' ' ILE . 3.8 ptmt -108.3 160.36 15.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 2.1 t60 -143.71 140.4 29.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -103.98 102.43 12.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -74.79 -162.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -109.8 163.62 16.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.4 Cg_endo -74.97 -1.01 10.65 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -109.67 -6.77 15.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' ALA . 11.6 t70 -68.28 138.57 55.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.71 143.9 54.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.45 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -110.29 36.6 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.662 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -159.3 57.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.3 p -155.74 152.72 28.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.22 108.55 14.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.727 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -64.71 -67.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.033 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.727 HD23 ' HB3' ' A' ' 74' ' ' SER . 0.5 OUTLIER -156.03 72.95 0.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.35 164.87 12.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.38 -60.72 2.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.7 p -155.54 155.77 33.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -157.5 -161.84 11.18 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.587 ' O ' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -150.18 126.69 10.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 110.284 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 9.0 mm -85.09 157.83 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.587 ' CE1' ' O ' ' A' ' 80' ' ' ARG . 75.4 m-85 -140.24 177.27 8.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 2.4 p -136.51 129.06 45.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.675 ' HB2' HD13 ' A' ' 92' ' ' LEU . 6.3 m-85 -119.16 159.57 23.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.49 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -91.17 149.23 21.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' HG2' HD21 ' A' ' 92' ' ' LEU . 59.5 mttt -106.53 116.09 31.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.73 -52.41 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.571 ' O ' HD23 ' A' ' 88' ' ' LEU . 0.6 OUTLIER -170.17 158.92 7.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 63.4 -161.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.79 39.02 1.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.1 m -106.84 156.46 18.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.675 HD13 ' HB2' ' A' ' 84' ' ' TYR . 17.7 mt -138.18 139.36 39.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.422 ' ND2' ' N ' ' A' ' 93' ' ' ASN . 1.1 m120 -102.9 132.87 20.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.45 ' HA ' ' CE2' ' A' ' 84' ' ' TYR . 18.2 Cg_endo -75.02 55.15 3.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 94' ' ' PRO . 0.3 OUTLIER 40.18 -162.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.994 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 45.46 63.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -141.86 92.96 2.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.362 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 63.65 107.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.5 m -72.18 89.25 1.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -64.17 -148.01 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 110.63 3.15 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.453 1.765 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.93 93.43 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.061 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.2 t -65.87 86.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.5 167.71 19.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.778 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 p -153.14 158.36 41.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.982 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.62 -125.28 6.82 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -91.45 103.65 16.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.86 175.96 2.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.33 -50.54 2.29 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 61.7 63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.47 144.33 26.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.418 HG12 HD13 ' A' ' 71' ' ' ILE . 1.3 tt -165.83 178.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 17.3 m-85 -134.75 148.31 50.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.693 ' SG ' HG21 ' A' ' 35' ' ' ILE . 11.9 t -110.31 117.13 32.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -97.11 113.2 24.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.593 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 21' ' ' TYR . 5.4 t -115.26 111.76 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.786 ' C ' HD13 ' A' ' 16' ' ' ILE . 5.1 m-85 -86.7 132.81 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.01 HD12 HG12 ' A' ' 83' ' ' VAL . 1.1 mm -93.46 -44.08 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.5 p -134.0 -139.81 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.388 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -89.78 -31.76 17.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.255 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -129.26 34.75 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -135.81 132.8 37.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.46 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.8 p90 -161.13 177.64 10.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.676 HG21 HG13 ' A' ' 39' ' ' VAL . 2.1 t -146.38 134.41 15.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.33 93.81 5.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.73 ' HB ' HG23 ' A' ' 35' ' ' ILE . 49.8 t -95.37 119.05 42.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 11' ' ' PHE . 24.2 tttm -84.27 99.05 10.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.558 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -120.44 -179.46 3.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.95 176.82 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.9 p -83.52 -7.53 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -132.19 29.44 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.94 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 p -82.99 157.75 22.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.024 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 33' ' ' GLN . 12.1 pt -90.18 165.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 1.068 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -61.34 -43.9 98.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.648 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -47.34 -45.18 24.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.687 ' O ' HG23 ' A' ' 38' ' ' VAL . 41.6 mt-10 -56.0 -21.64 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.73 HG23 ' HB ' ' A' ' 24' ' ' VAL . 5.3 mm -99.74 -49.71 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.758 ' HB2' HD21 ' A' ' 52' ' ' LEU . 15.0 tp -55.31 -40.88 71.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -61.67 -31.98 72.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.707 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.7 t -81.93 -58.84 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.093 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.676 HG13 HG21 ' A' ' 22' ' ' VAL . 94.5 t -47.15 -54.67 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.68 -45.22 1.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -69.35 -44.94 70.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.707 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -52.53 -29.6 26.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.807 HD11 HD11 ' A' ' 50' ' ' LEU . 2.1 pt -103.19 -18.6 6.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.4 mt-30 77.28 55.14 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.504 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -133.57 -164.76 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.671 ' HB3' ' OD1' ' A' ' 49' ' ' ASP . . . -111.49 103.59 11.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.75 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.0 pt-20 -39.24 -35.17 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.258 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.58 -48.48 81.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.671 ' OD1' ' HB3' ' A' ' 46' ' ' ALA . 4.2 m-20 -72.7 -5.71 39.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.807 HD11 HD11 ' A' ' 43' ' ' ILE . 49.3 mt -107.51 175.4 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -168.83 148.69 4.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.068 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.3 mm? -83.38 114.88 21.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.649 HG21 ' CD1' ' A' ' 84' ' ' TYR . 22.4 t -104.14 110.0 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.531 ' HB2' HG12 ' A' ' 81' ' ' ILE . . . -100.83 112.18 24.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.522 HG23 ' C ' ' A' ' 60' ' ' GLU . 1.9 mt -97.44 152.95 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.1 t -114.39 178.85 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 110.369 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 59' ' ' GLY . 0.2 OUTLIER -43.68 166.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.93 -70.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.973 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 57' ' ' PHE . . . 149.04 87.19 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.522 ' C ' HG23 ' A' ' 55' ' ' ILE . 28.4 mt-10 -141.77 117.46 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 84' ' ' TYR . 10.6 mttp -70.17 147.74 49.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.03 110.63 4.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.43 147.38 23.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -128.53 -160.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -104.04 163.49 17.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 18.2 Cg_endo -75.05 -4.69 15.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.496 1.787 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.624 ' O ' HG22 ' A' ' 31' ' ' ILE . 13.9 t-20 -111.0 -3.68 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -76.75 123.47 26.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ASP . 23.0 mt -40.41 152.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.609 HG13 ' HA ' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -100.79 -85.23 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.742 HG23 ' H ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -42.32 -70.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.742 ' H ' HG23 ' A' ' 71' ' ' ILE . 0.2 OUTLIER 36.8 74.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.036 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -100.06 -70.58 0.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.478 ' O ' HD22 ' A' ' 75' ' ' LEU . 1.5 m 67.6 -69.31 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 ' O ' ' A' ' 74' ' ' SER . 0.3 OUTLIER -137.79 -56.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -43.05 160.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.285 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -150.17 179.85 7.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.5 m 69.52 164.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.005 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 107.78 161.25 21.04 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' O ' ' CE1' ' A' ' 82' ' ' TYR . 1.1 mpt_? -151.57 126.37 9.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.259 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.531 HG12 ' HB2' ' A' ' 54' ' ' ALA . 25.8 mt -91.29 158.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' VAL . 76.8 m-85 -142.85 177.71 8.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.01 HG12 HD12 ' A' ' 16' ' ' ILE . 8.5 p -130.41 135.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.649 ' CD1' HG21 ' A' ' 53' ' ' VAL . 8.4 m-85 -124.45 152.73 42.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.477 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -87.53 148.99 24.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.578 1.174 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -98.45 136.62 38.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -110.65 -169.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.649 ' H ' HD12 ' A' ' 88' ' ' LEU . 4.8 mp -60.16 -17.34 40.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.24 174.09 6.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.34 49.36 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.411 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -109.83 163.88 13.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.412 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 84' ' ' TYR . 45.0 mt -142.23 130.03 21.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -128.36 148.49 68.18 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 132.3 15.23 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -64.46 164.13 12.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 49.42 80.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -45.45 134.45 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -124.18 150.57 45.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 t -95.06 -57.06 2.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.971 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -143.2 154.33 25.36 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 176.26 10.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.494 1.786 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.2 t -147.47 70.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.9 p -63.73 152.68 38.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.39 128.02 38.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.973 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 p -92.13 137.97 31.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.23 111.79 0.99 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 p -132.98 152.92 51.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 109.999 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 p -82.21 170.0 15.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.57 -69.83 0.37 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.478 1.111 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -100.22 55.41 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.572 0.807 . . . . 0.0 110.292 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -47.6 113.52 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.424 HD13 ' CG1' ' A' ' 71' ' ' ILE . 1.1 tt -174.58 151.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -131.65 162.87 29.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.9 t -124.69 103.02 7.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.539 ' CD2' ' HB3' ' A' ' 23' ' ' SER . 6.4 m80 -88.96 107.77 19.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.595 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.803 HG22 HG13 ' A' ' 22' ' ' VAL . 1.9 m -102.75 126.39 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.597 ' O ' ' CD2' ' A' ' 82' ' ' TYR . 3.4 m-30 -97.2 118.31 33.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 20' ' ' SER . 2.1 mt -71.29 -61.61 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.0 p -111.32 -136.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.391 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.437 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -90.66 -36.73 14.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -126.04 34.68 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -139.13 132.87 30.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.463 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 22.8 p90 -160.88 171.79 18.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.843 HG11 HG13 ' A' ' 39' ' ' VAL . 1.8 p -149.38 126.57 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.539 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 1.5 p -84.43 155.42 22.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.991 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.566 ' HB ' HG23 ' A' ' 35' ' ' ILE . 94.8 t -147.67 130.83 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -69.44 98.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.678 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -100.8 -179.63 4.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -112.21 176.59 4.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 p -76.14 -6.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -148.99 41.19 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.572 ' O ' HD23 ' A' ' 69' ' ' LEU . 35.4 t -97.22 153.93 17.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.604 HD12 ' HB3' ' A' ' 33' ' ' GLN . 16.1 pt -90.38 166.89 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.809 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -66.79 -40.18 88.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.604 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.4 tp60 -49.9 -40.41 42.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.649 ' O ' HG23 ' A' ' 38' ' ' VAL . 59.1 mt-10 -62.0 -12.56 19.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.678 HD11 ' HB2' ' A' ' 26' ' ' ALA . 32.1 mm -102.29 -47.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.761 HD21 ' O ' ' A' ' 47' ' ' GLU . 15.2 tp -56.69 -42.74 79.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' HE2' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -61.35 -30.24 70.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.693 HG12 ' CE ' ' A' ' 42' ' ' LYS . 19.3 t -83.25 -50.54 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.843 HG13 HG11 ' A' ' 22' ' ' VAL . 96.2 t -55.93 -52.84 44.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.31 -41.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -41.66 61.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.693 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -59.57 -31.55 69.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.705 HD11 HD11 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -102.04 -11.88 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ALA . 20.3 mt-30 66.36 62.52 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.527 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -138.66 -159.77 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.53 103.1 10.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.761 ' O ' HD21 ' A' ' 36' ' ' LEU . 11.1 pt-20 -44.14 -43.25 6.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -60.16 -31.82 70.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' ALA . 82.8 m-20 -86.5 -6.35 58.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.705 HD11 HD11 ' A' ' 43' ' ' ILE . 71.7 mt -106.99 -179.72 4.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -166.46 147.06 6.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.977 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -83.43 119.18 24.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.888 HG21 ' CD1' ' A' ' 84' ' ' TYR . 4.2 t -102.73 154.15 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.592 ' HB2' HD21 ' A' ' 64' ' ' LEU . . . -130.33 125.34 34.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.77 HD13 ' CB ' ' A' ' 61' ' ' LYS . 3.3 mm -97.11 138.53 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' SER . 8.1 t -93.83 166.79 12.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -66.31 69.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' THR . 8.4 m -177.84 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.493 ' O ' HG23 ' A' ' 55' ' ' ILE . . . 138.77 -37.14 1.82 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -47.72 137.37 9.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.77 ' CB ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -107.38 156.27 19.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.453 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 11.3 t60 -140.27 153.68 46.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.585 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -108.42 115.7 30.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.977 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -89.2 -160.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -109.81 163.51 16.94 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -1.86 11.77 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.594 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -112.41 -6.01 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 109.263 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -60.99 124.05 19.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.572 HD23 ' O ' ' A' ' 30' ' ' SER . 12.6 mt -60.94 131.15 49.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.428 HG21 ' CG1' ' A' ' 35' ' ' ILE . 1.1 m -104.41 73.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.424 ' CG1' HD13 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -172.2 -41.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.2 147.82 29.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.1 120.11 38.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 t -47.7 -67.35 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -172.09 42.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -118.64 115.35 24.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.65 96.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.37 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.73 94.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.01 -155.11 27.94 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -174.31 136.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 0.759 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 18.5 mm -99.16 150.13 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 8.9 m-85 -135.12 175.87 9.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.6 p -140.94 123.23 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.92 ' HB2' HD13 ' A' ' 92' ' ' LEU . 22.0 m-85 -118.21 166.2 12.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.4 OUTLIER -97.97 148.49 23.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -104.7 117.96 35.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.26 -55.92 2.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.567 ' CD1' ' C ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -174.74 174.19 2.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 88' ' ' LEU . . . 48.15 -175.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -87.43 53.76 2.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.7 p -125.79 157.71 36.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 110.361 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.92 HD13 ' HB2' ' A' ' 84' ' ' TYR . 8.5 mt -129.45 -59.71 1.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 62.68 140.9 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 145.09 30.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.504 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 21.5 m-85 -59.87 172.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -125.99 178.51 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.46 102.22 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -128.64 137.9 51.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.2 p -92.18 140.19 29.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.32 155.33 26.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 63.22 6.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.536 1.809 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.1 t -68.65 111.4 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.9 p -101.65 81.44 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -159.04 89.35 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 109.975 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m 76.59 -59.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.98 70.48 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -131.42 97.45 4.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.48 142.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.985 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.55 134.44 51.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.01 65.34 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.764 . . . . 0.0 110.311 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.34 119.6 18.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.265 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 26' ' ' ALA . 7.0 tt -171.1 156.16 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -128.58 163.28 25.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.0 t -126.18 106.12 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 108.31 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -84.21 117.84 23.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.461 HG11 HG11 ' A' ' 39' ' ' VAL . 55.7 t -116.7 99.65 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.449 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.5 m-85 -76.34 133.07 40.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.686 ' CD1' ' N ' ' A' ' 16' ' ' ILE . 0.3 OUTLIER -93.2 -62.66 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 7.5 p -104.77 -134.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -98.53 -24.39 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -136.4 39.31 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.595 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 15' ' ' TYR . 0.7 OUTLIER -139.86 136.56 34.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.995 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -160.24 173.51 15.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.535 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 4.9 t -133.54 139.17 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.4 p -101.21 87.29 3.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.579 HG11 HG23 ' A' ' 35' ' ' ILE . 71.8 t -92.97 141.13 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -95.2 98.7 10.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 1.025 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -102.98 162.02 13.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -77.23 176.34 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.092 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.87 -10.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.2 m -144.58 41.69 1.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.408 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -87.89 149.94 23.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.659 HD12 ' HB3' ' A' ' 33' ' ' GLN . 14.1 pt -88.88 163.9 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 1.014 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -64.73 -40.21 94.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.659 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -48.56 -43.86 36.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.749 ' O ' HG23 ' A' ' 38' ' ' VAL . 39.0 mt-10 -56.66 -35.4 68.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 1.025 HD11 ' HB2' ' A' ' 26' ' ' ALA . 8.9 mm -85.46 -39.08 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.821 ' HB2' HD21 ' A' ' 52' ' ' LEU . 17.3 tp -56.83 -46.91 81.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' CB ' ' OE2' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -57.91 -31.48 66.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 34' ' ' GLU . 21.9 t -80.21 -65.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.461 HG11 HG11 ' A' ' 14' ' ' VAL . 83.7 t -44.19 -52.86 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.24 -44.4 1.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -71.94 -45.19 62.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.538 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.41 -28.16 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.54 HD11 HD11 ' A' ' 50' ' ' LEU . 1.4 pt -104.52 -18.98 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' ALA . 26.6 mt-30 75.94 58.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.516 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -136.23 -160.72 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.83 104.07 11.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.709 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.2 pt-20 -44.93 -41.9 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -59.34 -33.56 71.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.234 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 46' ' ' ALA . 1.3 m-20 -87.71 -3.66 58.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.692 HD23 ' HA ' ' A' ' 85' ' ' ARG . 77.6 mt -107.34 -179.8 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -173.83 141.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.014 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.6 mm? -83.59 117.1 22.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.678 HG12 ' HG3' ' A' ' 63' ' ' GLU . 0.7 OUTLIER -114.36 127.73 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' HIS . . . -97.49 154.55 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.49 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.4 mt -133.1 154.39 39.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 t -100.51 171.86 7.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' SER . 17.0 t80 -54.01 -60.16 3.7 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER -39.21 -62.03 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.013 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.31 72.25 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.53 1.143 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 55' ' ' ILE . 38.1 mt-10 -141.06 125.36 17.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -71.88 148.69 45.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -151.03 115.52 5.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.571 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.863 ' CD ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -91.23 154.62 19.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.898 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -130.83 -156.16 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -112.43 163.15 18.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.49 14.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.596 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -109.89 -2.22 17.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' ILE . 7.3 t70 -70.45 154.71 41.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -78.77 141.23 37.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -109.01 36.2 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 72' ' ' SER . 1.9 pp -140.1 -47.99 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.421 ' N ' HD12 ' A' ' 71' ' ' ILE . 3.2 t -62.69 138.01 58.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.981 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -144.56 -177.49 5.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.652 ' C ' HD13 ' A' ' 75' ' ' LEU . 3.7 m -63.47 -92.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -166.2 30.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -125.65 32.39 5.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 60.99 175.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.64 98.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.85 -120.78 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.91 110.67 5.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.529 HD12 ' N ' ' A' ' 81' ' ' ILE . 4.2 mp -107.43 157.95 7.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 41.0 m-85 -148.42 176.19 10.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 1.9 p -131.84 130.57 61.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.659 ' HB2' HD13 ' A' ' 92' ' ' LEU . 5.6 m-85 -118.45 154.44 32.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.692 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -94.88 133.53 38.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.473 ' HG2' HD21 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -73.41 158.0 35.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -127.47 -171.21 2.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.755 HD22 ' H ' ' A' ' 88' ' ' LEU . 2.9 mm? -41.02 -31.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.08 -165.26 1.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.86 39.22 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.61 154.3 17.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.863 HD12 ' CD ' ' A' ' 63' ' ' GLU . 36.8 mt -131.69 137.88 48.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -127.42 150.44 72.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 111.85 3.42 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -44.33 166.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 64.62 171.31 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 71.59 70.46 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -174.62 149.43 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.7 p -65.86 147.25 53.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.53 157.94 28.84 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.494 1.121 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 119.5 5.67 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.75 168.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.03 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -90.85 -58.1 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.9 m 62.53 107.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.66 158.04 39.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.16 -165.27 22.55 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.13 157.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.951 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -121.21 121.56 38.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.02 69.23 0.21 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -124.46 111.57 15.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 0.745 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.26 137.48 40.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.9 tt -165.1 169.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -126.73 142.35 51.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.791 ' SG ' HG21 ' A' ' 35' ' ' ILE . 21.5 t -112.02 86.65 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 21' ' ' TYR . 73.8 m80 -72.27 124.42 25.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.748 HG11 HG21 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -115.84 111.86 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -82.35 112.63 19.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.158 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.507 HD11 ' CG2' ' A' ' 22' ' ' VAL . 9.5 mt -71.72 -61.09 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.252 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.438 ' HG1' ' CB ' ' A' ' 20' ' ' SER . 82.2 p -108.93 -137.27 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 110.392 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.25 -37.1 12.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.3 m170 -124.06 32.66 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.549 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.438 ' CB ' ' HG1' ' A' ' 17' ' ' THR . 1.7 m -139.4 137.89 36.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.982 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.565 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 15.4 p90 -160.43 175.63 12.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.582 ' CG1' ' HG2' ' A' ' 42' ' ' LYS . 2.7 t -138.26 128.42 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.6 p -92.3 109.01 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.961 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.639 ' HB ' HG23 ' A' ' 35' ' ' ILE . 91.7 t -106.32 108.92 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.59 ' HB3' ' CE1' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -77.41 98.2 5.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.551 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -115.47 -179.87 3.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -75.96 176.38 7.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.596 HG23 ' CD1' ' A' ' 71' ' ' ILE . 9.9 p -82.97 -3.51 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.6 p -132.64 24.05 4.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.055 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.402 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -82.8 141.76 32.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.496 HD12 ' HB3' ' A' ' 33' ' ' GLN . 12.8 pt -82.69 163.9 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.93 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -58.41 -42.75 87.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.496 ' HB3' HD12 ' A' ' 31' ' ' ILE . 1.7 tp60 -50.09 -42.15 49.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 38' ' ' VAL . 3.6 mm-40 -62.36 -12.72 22.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.274 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.817 HG13 HG21 ' A' ' 70' ' ' VAL . 11.0 mm -102.46 -53.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.753 HD21 ' O ' ' A' ' 47' ' ' GLU . 15.1 tp -49.12 -40.48 32.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.65 -30.74 70.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.262 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.703 HG12 ' HE2' ' A' ' 42' ' ' LYS . 13.2 t -80.51 -62.04 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.748 HG21 HG11 ' A' ' 14' ' ' VAL . 88.1 t -45.48 -55.02 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -38.84 -43.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -72.25 -44.85 62.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.703 ' HE2' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.28 -29.58 33.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.519 HD11 HD11 ' A' ' 50' ' ' LEU . 1.7 pt -103.92 -18.63 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 40' ' ' ALA . 39.5 mt-30 75.13 57.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.519 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -131.38 -160.52 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.511 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -112.96 99.16 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.753 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.5 pt-20 -41.42 -42.66 2.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.38 -40.02 81.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.511 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 78.5 m-20 -79.43 -5.2 54.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CB ' HD11 ' A' ' 36' ' ' LEU . 44.0 mt -106.49 -179.16 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -168.04 148.43 4.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.93 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.7 OUTLIER -83.42 120.94 26.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.777 HG21 ' CD1' ' A' ' 84' ' ' TYR . 22.1 t -107.57 146.65 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.89 132.25 56.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.613 HD13 ' CA ' ' A' ' 61' ' ' LYS . 1.2 mm -120.16 102.19 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.589 HG22 ' HB2' ' A' ' 60' ' ' GLU . 8.9 t -62.61 155.95 24.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.357 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.676 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 42.8 p90 -57.19 98.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 57' ' ' PHE . 0.9 OUTLIER 154.86 -68.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 154.05 66.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.589 ' HB2' HG22 ' A' ' 56' ' ' THR . 21.5 mt-10 -145.15 103.88 3.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.613 ' CA ' HD13 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -81.1 146.54 30.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 13.3 t60 -144.42 158.32 43.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.05 130.69 55.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.848 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -109.09 -157.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -110.22 162.77 19.14 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -74.98 -4.87 16.05 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -113.59 21.95 14.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -89.99 126.5 35.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' VAL . 4.2 mm? -63.95 91.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.817 HG21 HG13 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -38.24 -44.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.596 ' CD1' HG23 ' A' ' 28' ' ' VAL . 0.9 OUTLIER -61.12 -53.81 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.48 ' N ' HG23 ' A' ' 71' ' ' ILE . 29.1 t -46.32 152.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.975 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.58 118.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.91 -73.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -174.18 134.91 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -177.75 145.11 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.37 111.73 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 28.1 t 51.11 96.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.07 129.59 9.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 80' ' ' ARG . 0.9 OUTLIER -132.19 113.18 12.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.75 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 14' ' ' VAL . 40.4 mm -80.72 147.0 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.541 ' CE1' HG13 ' A' ' 55' ' ' ILE . 8.1 m-85 -123.81 174.93 7.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 3.5 p -141.47 120.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.777 ' CD1' HG21 ' A' ' 53' ' ' VAL . 5.7 m-85 -111.86 162.59 15.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.516 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -109.06 124.42 50.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -72.61 123.98 24.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -178.55 141.97 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.142 . . . . 0.0 109.27 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 88' ' ' LEU . 16.9 mt 61.22 120.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 52.27 -174.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -97.16 48.79 1.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 92' ' ' LEU . 8.9 t -114.96 -160.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.453 ' N ' ' OG1' ' A' ' 91' ' ' THR . 15.9 mt -139.44 -68.07 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.248 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m120 68.6 137.84 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.61 41.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.463 ' O ' ' HB3' ' A' ' 96' ' ' ALA . 8.3 m-85 -68.06 172.05 6.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 95' ' ' PHE . . . 69.32 80.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.173 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -141.17 165.84 26.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -56.09 104.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.7 t -171.05 169.56 6.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.76 168.3 53.49 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.16 42.99 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.95 167.0 11.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.988 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.04 -58.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.444 1.09 . . . . 0.0 111.047 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -147.97 -59.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m 63.39 128.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.55 -163.16 39.05 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -175.59 160.19 2.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.62 164.1 10.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.968 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.3 -111.1 3.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.57 100.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 0.728 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -120.17 139.11 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.463 HD13 HD11 ' A' ' 71' ' ' ILE . 0.4 OUTLIER -176.46 171.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -124.61 157.78 34.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.86 ' SG ' HG21 ' A' ' 35' ' ' ILE . 15.3 t -120.15 104.03 9.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 108.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -77.7 107.48 10.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.581 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.587 HG11 HG21 ' A' ' 39' ' ' VAL . 2.2 t -113.64 108.22 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.573 ' CE1' ' HG2' ' A' ' 80' ' ' ARG . 3.6 m-85 -83.28 129.21 34.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.6 mt -87.92 -56.42 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.0 p -114.27 -138.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.368 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' N ' ' OG1' ' A' ' 17' ' ' THR . 3.1 tp10 -90.86 -32.03 16.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -132.54 38.64 3.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.549 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.53 140.36 37.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.04 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.428 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 2.3 p90 -158.61 -178.79 7.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.805 HG11 HG22 ' A' ' 39' ' ' VAL . 2.4 p -142.18 130.76 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.16 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.9 p -91.87 92.63 8.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 22' ' ' VAL . 57.9 t -97.7 135.33 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -79.0 98.84 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.548 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -99.22 179.46 4.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.66 176.54 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.572 ' HA ' HD13 ' A' ' 71' ' ' ILE . 2.2 p -73.68 -11.72 14.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.884 ' HA ' HD21 ' A' ' 69' ' ' LEU . 26.8 t -145.36 44.61 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.5 t -97.8 147.88 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.916 HG22 ' O ' ' A' ' 67' ' ' ASN . 17.3 pt -85.31 166.52 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 1.005 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -65.0 -43.27 93.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.501 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -46.78 -43.66 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.7 mm-40 -56.83 -25.24 55.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.86 HG21 ' SG ' ' A' ' 12' ' ' CYS . 13.9 mm -97.61 -48.87 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.732 HD21 ' O ' ' A' ' 47' ' ' GLU . 16.2 tp -54.76 -41.43 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -60.91 -32.95 72.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 34' ' ' GLU . 15.1 t -80.38 -61.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.805 HG22 HG11 ' A' ' 22' ' ' VAL . 69.9 t -43.42 -54.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.37 -43.99 1.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.92 -43.23 62.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.695 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -55.9 -23.02 28.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.515 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 1.6 pt -110.89 -17.6 8.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.1 mt-30 74.74 58.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.515 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -134.2 -160.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 111.045 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.17 101.3 9.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.732 ' O ' HD21 ' A' ' 36' ' ' LEU . 10.3 pt-20 -43.03 -41.19 3.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.95 -39.18 84.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -80.25 -3.93 51.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.589 HD23 ' HA ' ' A' ' 85' ' ' ARG . 75.7 mt -107.2 -179.83 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 83' ' ' VAL . . . -174.64 139.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.005 HD12 ' HB1' ' A' ' 32' ' ' ALA . 96.4 mt -82.66 113.89 20.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.559 HG12 ' HG3' ' A' ' 63' ' ' GLU . 1.1 m -113.24 114.68 47.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.766 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . . . -89.73 148.16 23.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 60' ' ' GLU . 2.2 mt -127.79 155.41 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.659 HG22 ' HG2' ' A' ' 60' ' ' GLU . 7.0 t -109.49 -173.95 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.428 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' A' ' 58' ' ' SER . 13.7 p90 -70.06 -45.42 67.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.587 ' N ' ' CG ' ' A' ' 57' ' ' PHE . 0.6 OUTLIER -49.69 -32.32 13.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.985 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.8 66.51 0.9 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.057 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.659 ' HG2' HG22 ' A' ' 56' ' ' THR . 6.2 pt-20 -138.4 132.12 30.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -78.56 147.51 33.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.83 111.01 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.61 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.921 ' CD ' HD12 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -90.35 124.72 35.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 64' ' ' LEU . 2.0 mm? -85.84 -125.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.742 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 11.9 mt-30 -156.76 171.44 7.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.742 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.5 Cg_endo -74.96 11.39 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.916 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -127.6 -37.78 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -44.29 123.6 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.884 HD21 ' HA ' ' A' ' 29' ' ' SER . 1.5 tp -53.36 146.98 11.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.554 HG11 HD13 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -109.13 40.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.572 HD13 ' HA ' ' A' ' 28' ' ' VAL . 1.4 tt -138.79 -49.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.4 t -50.56 131.63 25.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' O ' ' CE ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -170.09 111.09 0.42 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.8 m -102.9 -73.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.98 -52.18 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -48.67 -47.79 40.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -125.54 122.92 37.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 177.67 171.23 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.018 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 112.7 -93.66 0.69 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.573 ' HG2' ' CE1' ' A' ' 15' ' ' TYR . 2.9 mpt_? -148.31 124.03 10.51 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 0.749 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.766 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 32.3 mm -76.05 138.86 19.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 15' ' ' TYR . 68.1 m-85 -121.83 161.81 22.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 2.0 p -128.31 132.81 67.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.533 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 6.2 m-85 -120.01 152.99 36.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.589 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -96.28 122.69 39.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.1 mtpt -64.01 152.2 40.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 89' ' ' ALA . 1.6 m-20 168.32 -69.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.63 HD12 ' ND2' ' A' ' 93' ' ' ASN . 17.4 mt -69.3 64.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 87' ' ' ASP . . . 63.6 -161.87 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -26.44 60.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -53.41 172.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 0.0 110.343 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.921 HD12 ' CD ' ' A' ' 63' ' ' GLU . 41.1 mt -140.93 137.65 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.63 ' ND2' HD12 ' A' ' 88' ' ' LEU . 1.0 OUTLIER -112.38 143.4 28.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 131.42 14.32 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -56.63 172.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 47.58 73.1 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.15 -63.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -67.37 140.21 57.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.5 p -75.88 134.25 40.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -138.24 115.56 1.19 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 150.99 38.87 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.768 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 87.9 p -170.82 94.97 0.2 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.966 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.4 m -149.34 98.73 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.058 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.28 113.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -165.74 140.3 4.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.76 128.5 2.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 6' ' ' SER . 1.0 OUTLIER 171.87 158.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.986 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.0 OUTLIER 80.0 123.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.017 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.23 -167.49 54.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.576 ' HB3' HG13 ' A' ' 28' ' ' VAL . 19.6 mp0 -41.25 -64.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 39.35 72.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.417 HG21 ' HA ' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -136.61 146.72 28.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 6.8 m-85 -125.86 137.35 53.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.2 t -98.53 111.99 24.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 108.273 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -78.75 111.51 14.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.592 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.601 HG11 HG11 ' A' ' 39' ' ' VAL . 2.3 t -108.52 99.12 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -79.77 113.12 17.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 14.4 mt -66.77 -59.59 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.745 HG22 ' HB2' ' A' ' 20' ' ' SER . 7.0 t -127.17 -132.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.585 ' N ' HG23 ' A' ' 17' ' ' THR . 2.4 tp10 -73.3 -77.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 4.2 m170 -101.84 47.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.745 ' HB2' HG22 ' A' ' 17' ' ' THR . 2.1 m -140.07 136.71 33.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.83 -177.67 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.95 HG11 HG13 ' A' ' 39' ' ' VAL . 2.7 p -150.17 123.56 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -75.78 124.39 27.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.687 HG11 HG23 ' A' ' 35' ' ' ILE . 69.5 t -124.56 121.74 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 11' ' ' PHE . 17.1 tttt -91.3 98.73 11.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.516 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -118.42 -179.81 3.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' O ' HD13 ' A' ' 71' ' ' ILE . 20.9 mmtt -79.39 160.42 26.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.576 HG13 ' HB3' ' A' ' 8' ' ' GLU . 32.4 m -66.74 -12.5 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.8 t -130.07 32.62 4.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.993 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -84.14 154.47 23.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.008 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.52 HD12 ' HB3' ' A' ' 33' ' ' GLN . 10.8 pt -89.24 163.2 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.919 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -56.93 -42.66 80.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.6 tp-100 -50.66 -43.42 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.68 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.0 mm-40 -56.47 -17.65 8.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.687 HG23 HG11 ' A' ' 24' ' ' VAL . 7.2 mm -100.16 -48.02 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.792 HD21 ' O ' ' A' ' 47' ' ' GLU . 14.4 tp -56.05 -40.84 74.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.478 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -62.66 -28.87 70.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 34' ' ' GLU . 12.9 t -85.62 -55.37 6.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.95 HG13 HG11 ' A' ' 22' ' ' VAL . 48.5 t -51.83 -53.42 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' TYR . . . -38.91 -46.34 1.3 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.29 -40.48 70.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.676 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -64.49 -17.31 63.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.928 HD11 HD21 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -114.87 -4.66 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' ALA . 18.7 mt-30 62.36 64.27 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.487 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -146.61 -166.98 2.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.589 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -112.52 104.85 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.792 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.5 pt-20 -36.79 -46.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.97 -47.21 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.589 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 58.4 m-20 -69.41 -9.78 55.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.247 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.928 HD21 HD11 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -103.53 179.57 4.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HB2' ' HE3' ' A' ' 86' ' ' LYS . . . -167.68 143.47 3.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.919 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -81.97 114.22 20.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.345 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.483 HG21 ' CD1' ' A' ' 84' ' ' TYR . 18.9 t -99.71 129.62 50.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.67 131.46 54.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.863 HD13 ' HA ' ' A' ' 61' ' ' LYS . 6.2 mm -110.92 112.86 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -63.3 163.47 10.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' SER . 4.6 t80 -48.16 -63.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PHE . 66.7 m -39.36 -71.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.013 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 153.59 71.35 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -149.91 118.0 6.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.863 ' HA ' HD13 ' A' ' 55' ' ' ILE . 2.5 ptpp? -76.06 155.55 34.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -151.27 148.04 27.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.38 112.87 25.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.709 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -92.22 -160.36 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -107.29 163.93 15.89 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.419 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.3 Cg_endo -74.95 -1.99 11.94 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.46 1.768 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.78 11.4 19.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.12 113.86 24.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 30' ' ' SER . 11.1 mt -42.77 148.29 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.406 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.81 -17.43 8.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.468 HD13 ' O ' ' A' ' 27' ' ' LYS . 4.2 mt -121.64 68.44 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 174.1 175.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.47 123.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.585 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -129.05 40.34 3.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.009 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 74' ' ' SER . 6.0 mp -140.6 -58.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -40.41 -67.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -146.7 -70.8 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 t 41.58 90.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.999 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.89 -55.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.41 121.94 2.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.45 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 15.8 mt -106.04 158.3 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.667 ' CE1' ' CG1' ' A' ' 55' ' ' ILE . 19.2 m-85 -144.11 174.88 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -129.64 125.37 61.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.485 ' CD2' ' C ' ' A' ' 93' ' ' ASN . 4.3 m-85 -112.82 173.94 6.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' HG3' ' CE1' ' A' ' 95' ' ' PHE . 20.6 mtp180 -107.02 139.16 41.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.345 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.511 ' HE3' ' HB2' ' A' ' 51' ' ' ALA . 61.6 mttt -97.57 116.92 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.6 -152.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.705 HD12 ' N ' ' A' ' 88' ' ' LEU . 1.3 mp -85.62 -2.51 58.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.17 124.25 48.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.09 -33.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -61.18 160.39 10.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' A' ' 92' ' ' LEU . 11.9 mt -103.71 -45.11 4.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.485 ' C ' ' CD2' ' A' ' 84' ' ' TYR . 5.2 m-80 62.68 133.35 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.99 6.51 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.466 1.772 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.421 ' CE1' ' HG3' ' A' ' 85' ' ' ARG . 3.7 m-85 -89.85 -170.52 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 55.79 -175.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -139.06 -58.85 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -117.12 149.88 39.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.2 p -70.81 155.25 41.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.7 157.8 23.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.38 38.9 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.95 -64.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.2 m -90.49 165.45 13.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.006 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.15 -57.79 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.9 p 43.26 79.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.53 103.56 0.17 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.434 1.084 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -118.1 174.51 6.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -129.68 163.84 25.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.997 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.37 79.83 0.24 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.542 1.151 . . . . 0.0 111.057 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -173.45 64.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -90.12 132.5 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.654 HD13 HD11 ' A' ' 71' ' ' ILE . 0.3 OUTLIER -158.29 170.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -120.64 151.29 39.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.594 ' SG ' HG21 ' A' ' 35' ' ' ILE . 43.3 t -118.12 98.47 6.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -73.84 110.42 8.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.644 HG11 HG11 ' A' ' 39' ' ' VAL . 1.5 t -110.93 99.21 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.66 110.39 13.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mt -67.26 -57.19 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 8.6 p -117.63 -136.37 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' OG1' ' A' ' 17' ' ' THR . 3.6 tt0 -95.9 -31.78 12.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -126.23 32.74 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.607 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -139.25 137.7 36.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 5.3 p90 -160.21 177.02 11.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.549 HG11 HG13 ' A' ' 39' ' ' VAL . 2.5 p -146.5 131.13 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.33 91.39 7.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.472 ' HB ' HG23 ' A' ' 35' ' ' ILE . 99.5 t -92.94 130.54 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -72.64 98.79 2.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.613 ' HB2' HD11 ' A' ' 35' ' ' ILE . . . -101.18 179.05 4.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.482 ' O ' HG21 ' A' ' 71' ' ' ILE . 3.8 mmtp -117.7 177.88 4.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.23 4.56 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.519 ' HA ' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -151.02 24.8 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.987 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -87.72 148.38 24.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.884 HG22 ' O ' ' A' ' 67' ' ' ASN . 21.9 pt -88.87 170.2 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 1.114 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -66.55 -43.22 85.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.451 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.5 OUTLIER -48.76 -38.87 23.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.664 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.0 mm-40 -61.08 -20.64 62.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 26' ' ' ALA . 23.0 mm -98.81 -47.0 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.845 ' HB2' HD21 ' A' ' 52' ' ' LEU . 16.9 tp -55.43 -42.84 74.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -60.34 -31.99 70.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.976 HG12 ' HE3' ' A' ' 42' ' ' LYS . 15.2 t -82.94 -61.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.644 HG11 HG11 ' A' ' 14' ' ' VAL . 73.7 t -44.55 -52.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -42.27 -47.22 4.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -70.42 -43.33 70.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.976 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.32 -29.46 33.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.51 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.3 pt -105.65 -16.93 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ALA . 19.4 mt-30 76.05 55.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.51 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -131.34 -161.26 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 111.012 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.1 104.19 12.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.808 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -43.17 -44.5 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -58.69 -35.41 72.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' ALA . 4.3 m-20 -80.15 -7.41 58.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.685 ' CB ' HD11 ' A' ' 36' ' ' LEU . 86.5 mt -107.79 -179.6 3.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HB1' ' CG ' ' A' ' 63' ' ' GLU . . . -171.26 141.29 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.114 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -83.05 124.34 30.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.667 HG21 ' CE1' ' A' ' 84' ' ' TYR . 1.5 m -125.93 127.22 70.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.402 ' HB1' ' HA ' ' A' ' 77' ' ' ALA . . . -89.82 136.63 32.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.685 HD13 ' CB ' ' A' ' 61' ' ' LYS . 2.6 mm -104.53 108.24 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 60' ' ' GLU . 10.3 t -62.85 164.08 8.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -46.62 -65.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.58 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.0 67.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.539 1.15 . . . . 0.0 111.02 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' H ' HG22 ' A' ' 56' ' ' THR . 37.6 mt-10 -144.38 113.05 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.756 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.685 ' CB ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -77.26 147.4 36.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -143.75 110.28 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.626 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.569 ' CG ' ' HB1' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -66.44 120.26 13.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.3 mm? -79.51 -119.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.693 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 9.4 mt-30 -158.5 169.78 10.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.693 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.03 7.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.884 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.5 t30 -126.21 -33.86 2.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.475 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -46.93 110.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' A' ' 29' ' ' SER . 1.8 tp -41.62 150.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -109.75 29.69 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.654 HD11 HD13 ' A' ' 10' ' ' ILE . 10.1 tt -168.58 69.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.16 123.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.017 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.56 ' HB2' ' HB3' ' A' ' 77' ' ' ALA . 0.0 OUTLIER 170.64 150.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.5 m -67.49 -81.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mp -139.94 85.2 2.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -172.82 -61.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB3' ' HB2' ' A' ' 73' ' ' LYS . . . -84.89 -29.33 25.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.3 p -65.1 87.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.29 -89.18 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -148.54 121.69 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mm -86.71 142.31 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.596 ' CE1' HG13 ' A' ' 55' ' ' ILE . 5.4 m-85 -120.64 177.35 5.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 7.1 p -147.37 122.59 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.722 ' HB2' HD13 ' A' ' 92' ' ' LEU . 3.4 m-85 -112.76 175.91 5.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.66 132.45 44.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.738 ' HG2' HD21 ' A' ' 92' ' ' LEU . 18.0 mtpt -96.15 110.92 23.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 163.89 -171.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 88' ' ' LEU . 12.1 mt 61.12 -99.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 91' ' ' THR . . . -108.18 163.77 12.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -49.15 -23.41 1.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.615 HG22 ' H ' ' A' ' 92' ' ' LEU . 13.5 m -62.79 178.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.389 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.738 HD21 ' HG2' ' A' ' 86' ' ' LYS . 6.3 mt -117.65 -38.55 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.474 ' O ' ' CD2' ' A' ' 84' ' ' TYR . 2.1 m-80 62.34 129.78 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 95' ' ' PHE . 18.3 Cg_endo -74.94 55.13 3.82 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 94' ' ' PRO . 0.1 OUTLIER 38.8 -159.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 48.09 88.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -93.74 133.19 37.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -57.32 158.78 5.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.3 m -105.54 166.2 10.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 110.024 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 146.42 156.91 7.1 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.14 4.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.493 1.786 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.6 t -74.53 105.08 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.51 162.65 37.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -110.76 146.83 35.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.447 0.733 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.12 108.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.18 153.92 16.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -172.61 165.38 5.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 109.987 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.19 149.84 40.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.89 -85.09 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 41.57 52.19 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.308 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.71 104.87 10.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.755 HG21 HD12 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -157.16 160.03 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.522 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -130.95 161.99 30.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.792 ' SG ' HG21 ' A' ' 35' ' ' ILE . 5.5 t -122.35 97.1 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 108.344 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.533 ' CD2' ' HB3' ' A' ' 23' ' ' SER . 9.0 m80 -84.43 109.99 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.603 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.708 HG22 HG13 ' A' ' 22' ' ' VAL . 2.4 m -108.18 128.13 63.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.483 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.5 m-30 -97.51 119.61 36.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 20' ' ' SER . 9.2 mt -72.17 -58.8 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.8 p -113.83 -138.23 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.485 ' HG3' ' CE1' ' A' ' 19' ' ' HIS . 4.6 pt-20 -89.53 -35.48 15.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.485 ' CE1' ' HG3' ' A' ' 18' ' ' GLU . 6.6 m170 -127.8 35.8 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.614 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -139.59 134.23 31.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.953 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 24.2 p90 -160.96 172.48 16.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.121 HG11 HG13 ' A' ' 39' ' ' VAL . 2.5 p -148.41 122.73 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.533 ' HB3' ' CD2' ' A' ' 13' ' ' HIS . 1.9 p -83.04 149.57 26.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.01 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.693 ' HB ' HG23 ' A' ' 35' ' ' ILE . 92.6 t -140.37 128.46 24.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 2.8 tptt -83.65 99.17 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -115.78 -179.8 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.6 175.56 8.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.913 ' HA ' HD13 ' A' ' 71' ' ' ILE . 15.9 m -75.64 -12.38 14.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.592 ' HA ' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -129.85 26.82 5.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.982 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.537 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -79.63 149.6 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 67' ' ' ASN . 16.0 pt -89.59 165.49 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 1.033 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -61.6 -42.98 99.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -48.57 -42.85 34.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.667 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.0 mm-40 -59.37 -15.42 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.871 HG13 HG21 ' A' ' 70' ' ' VAL . 5.6 mm -100.94 -53.94 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.846 HD11 ' CB ' ' A' ' 50' ' ' LEU . 19.2 tp -50.8 -41.74 57.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.88 -30.21 70.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.706 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.8 t -84.69 -50.52 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.121 HG13 HG11 ' A' ' 22' ' ' VAL . 94.2 t -54.63 -51.92 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.7 -45.54 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.33 -39.77 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.706 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -63.85 -19.03 64.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.767 HD11 HD11 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -117.63 0.82 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 40' ' ' ALA . 31.4 mt-30 54.89 64.63 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.519 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -143.21 -162.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -115.23 107.55 15.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.777 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.8 pt-20 -46.43 -41.6 14.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -60.23 -25.25 65.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ALA . 82.6 m-20 -93.22 -6.77 46.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.846 ' CB ' HD11 ' A' ' 36' ' ' LEU . 77.4 mt -107.54 -179.59 3.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.72 143.79 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.033 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -84.07 114.3 21.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.715 HG11 ' CD1' ' A' ' 92' ' ' LEU . 2.4 m -117.58 122.67 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.25 154.31 18.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.5 HG13 ' CD1' ' A' ' 82' ' ' TYR . 1.9 mt -124.1 156.14 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 57' ' ' PHE . 7.4 t -109.31 -174.0 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.382 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.442 ' N ' ' OG1' ' A' ' 56' ' ' THR . 18.7 t80 -67.61 -55.02 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -34.67 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.97 85.69 1.89 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -157.1 128.15 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -77.67 148.56 34.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -150.96 110.23 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.573 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.416 ' CG ' HG12 ' A' ' 53' ' ' VAL . 0.9 OUTLIER -78.91 116.02 18.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.308 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.4 mm? -74.71 -123.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.718 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 16.3 mt-30 -159.03 170.41 8.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.718 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.01 8.49 2.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.789 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.686 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -125.71 -35.07 2.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.485 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -43.74 103.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.592 HD21 ' HA ' ' A' ' 29' ' ' SER . 1.5 tp -41.71 148.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.871 HG21 HG13 ' A' ' 35' ' ' ILE . 11.2 m -117.65 67.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.913 HD13 ' HA ' ' A' ' 28' ' ' VAL . 2.4 tt -168.1 -45.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.4 t -89.42 -34.91 16.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.93 150.56 46.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.948 ' O ' HD12 ' A' ' 75' ' ' LEU . 3.3 m 62.21 72.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.948 HD12 ' O ' ' A' ' 74' ' ' SER . 3.3 mp -145.39 90.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -153.49 -54.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.46 90.65 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 39.91 59.31 1.95 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -50.9 159.84 1.71 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.149 . . . . 0.0 111.048 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.484 ' HB2' ' CE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -151.98 126.93 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.347 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.581 HD12 ' N ' ' A' ' 81' ' ' ILE . 3.2 mp -100.93 151.19 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 81' ' ' ILE . 9.2 m-85 -140.77 166.39 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.423 HG11 HG11 ' A' ' 39' ' ' VAL . 4.1 p -130.48 123.92 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.909 ' HB2' HD13 ' A' ' 92' ' ' LEU . 4.7 m-85 -115.26 174.51 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.17 138.53 37.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.265 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 87' ' ' ASP . 24.8 mttt -86.47 115.39 23.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 86' ' ' LYS . 1.1 m-20 159.26 -171.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.684 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 10.8 mt 67.37 58.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 88' ' ' LEU . . . 82.7 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.98 -45.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.3 m -42.58 164.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 110.403 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.909 HD13 ' HB2' ' A' ' 84' ' ' TYR . 7.7 mt -98.15 -54.82 2.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 62.29 136.54 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.15 36.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -62.26 -170.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 58.63 97.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -126.74 123.74 38.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.276 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 51.98 92.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.73 155.64 16.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.996 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.56 -118.66 1.97 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 141.79 26.97 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.9 p -144.8 162.69 36.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.982 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.4 p -179.37 152.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -132.87 -57.38 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 110.025 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.19 85.33 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.972 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.24 105.11 0.28 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -172.12 120.75 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.747 . . . . 0.0 109.966 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -160.53 100.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.027 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.8 -125.61 35.36 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.06 117.47 1.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -123.87 105.13 9.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.472 HG21 ' HA ' ' A' ' 28' ' ' VAL . 12.2 tt -155.38 160.07 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.4 m-85 -133.86 138.35 45.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t -95.74 111.43 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 108.29 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -81.33 113.48 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.624 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.84 HG11 HG11 ' A' ' 39' ' ' VAL . 2.9 t -115.56 98.47 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.461 ' O ' HG12 ' A' ' 83' ' ' VAL . 3.3 m-85 -71.56 141.05 50.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.1 mt -101.22 -56.54 5.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.5 p -113.8 -138.86 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -89.62 -34.81 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -131.8 38.84 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.597 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -138.9 141.66 38.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -159.12 178.78 9.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.589 HG21 ' CB ' ' A' ' 42' ' ' LYS . 11.6 p -136.62 135.83 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.2 p -90.42 105.99 18.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.864 HG11 HG23 ' A' ' 35' ' ' ILE . 92.2 t -105.82 121.98 58.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -93.09 99.25 11.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -119.04 -179.5 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' N ' ' OG ' ' A' ' 30' ' ' SER . 13.6 mmtm -72.42 176.3 5.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.472 ' HA ' HG21 ' A' ' 10' ' ' ILE . 12.3 p -81.02 -15.43 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.4 t -132.12 32.8 3.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -80.96 155.43 26.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.645 HD12 ' HB3' ' A' ' 33' ' ' GLN . 15.7 pt -85.94 167.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.957 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -68.44 -44.98 73.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.645 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -43.42 -46.7 6.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.741 ' O ' HG23 ' A' ' 38' ' ' VAL . 26.8 mt-10 -52.55 -44.02 65.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.864 HG23 HG11 ' A' ' 24' ' ' VAL . 6.5 mm -66.62 -40.48 86.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.57 ' HG ' HD21 ' A' ' 52' ' ' LEU . 1.7 mt -52.02 -65.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 34' ' ' GLU . 3.9 pttt -42.51 -31.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 34' ' ' GLU . 41.4 t -80.41 -63.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.84 HG11 HG11 ' A' ' 14' ' ' VAL . 84.5 t -52.41 -54.28 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.511 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . . . -35.51 -48.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.6 OUTLIER -74.08 -50.55 19.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.641 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -47.51 -25.2 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.904 HD11 HD11 ' A' ' 50' ' ' LEU . 2.2 pt -108.18 -23.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 40' ' ' ALA . 35.3 mt-30 80.73 56.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -137.15 -161.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.14 108.64 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.511 ' OE1' ' CB ' ' A' ' 40' ' ' ALA . 3.6 pm0 -46.78 -40.32 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' CG ' ' OD1' ' A' ' 49' ' ' ASP . 5.9 pt-20 -59.76 -24.37 64.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 86' ' ' LYS . 0.8 OUTLIER -99.07 -7.43 26.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.904 HD11 HD11 ' A' ' 43' ' ' ILE . 93.9 mt -106.29 -179.75 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.427 ' HB1' ' CG ' ' A' ' 63' ' ' GLU . . . -173.77 143.22 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.957 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.5 mm? -81.25 116.44 21.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 82' ' ' TYR . 2.3 t -110.86 109.85 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.497 ' HB2' HG13 ' A' ' 81' ' ' ILE . . . -104.14 131.72 51.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.445 HD13 ' HG2' ' A' ' 61' ' ' LYS . 2.1 mt -123.82 156.28 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -107.98 174.88 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.37 -65.87 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.65 -59.28 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 128.79 85.69 0.46 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 55' ' ' ILE . 32.1 mt-10 -137.14 117.66 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.529 ' HE2' ' CZ ' ' A' ' 84' ' ' TYR . 2.9 mmtp -74.06 138.57 44.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.19 110.18 3.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.599 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' CG ' ' HB1' ' A' ' 51' ' ' ALA . 1.9 tm-20 -87.81 -4.18 58.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.3 OUTLIER 38.0 -154.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -120.98 163.22 30.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.65 10.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.519 1.799 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.489 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -114.88 -2.08 13.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.9 153.01 40.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.9 mt -75.36 144.68 42.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.52 HG13 ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -108.32 19.49 5.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 72' ' ' SER . 2.9 mp -125.2 -69.92 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 71' ' ' ILE . 24.5 p 38.53 58.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.19 102.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -162.06 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 109.971 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.78 52.79 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -161.67 72.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 57.12 177.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.1 t -125.77 144.58 50.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -92.93 -171.11 40.25 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.471 ' O ' ' CE2' ' A' ' 82' ' ' TYR . 1.5 mtm180 -128.25 110.79 12.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.497 HG13 ' HB2' ' A' ' 54' ' ' ALA . 3.6 mp -77.88 148.06 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.471 ' CE2' ' O ' ' A' ' 80' ' ' ARG . 96.3 m-85 -135.69 174.66 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 15' ' ' TYR . 1.4 p -134.74 130.79 53.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.666 ' HB3' HD22 ' A' ' 92' ' ' LEU . 9.8 m-85 -125.04 164.24 20.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.052 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 95' ' ' PHE . 4.9 mpp_? -93.49 142.6 27.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' ASP . 1.6 mtpt -103.61 130.29 51.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 88' ' ' LEU . 16.9 p-10 -132.74 -143.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.767 HD22 ' N ' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -92.35 34.99 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' ASP . . . -149.9 114.15 5.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' ALA . 14.9 t70 -40.02 -51.51 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.7 m -47.77 159.43 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 84' ' ' TYR . 18.1 mt -118.81 139.17 52.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.442 HD22 ' N ' ' A' ' 93' ' ' ASN . 1.9 m-80 -107.89 147.63 35.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.79 28.46 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 1.5 m-85 -87.5 -175.51 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -119.55 -172.59 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 58.48 169.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -155.0 160.74 41.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.0 107.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -113.3 167.69 12.39 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 97.73 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.5 p -155.12 143.13 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.955 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.7 103.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -146.2 -56.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.76 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -114.9 165.61 12.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.06 141.76 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.87 -62.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.977 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.1 m -87.45 173.68 8.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.6 149.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' OE1' ' CD ' ' A' ' 27' ' ' LYS . 2.9 mp0 64.77 54.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -61.6 102.37 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.439 ' CD1' HG13 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -170.85 154.53 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -134.02 147.28 50.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.802 ' SG ' HG21 ' A' ' 35' ' ' ILE . 12.5 t -110.34 92.98 4.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 108.291 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -71.19 119.8 15.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.694 HG11 HG11 ' A' ' 39' ' ' VAL . 43.8 t -113.9 98.7 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.96 107.4 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.426 HD11 ' CG2' ' A' ' 22' ' ' VAL . 9.8 mt -66.16 -55.75 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 5.0 p -119.49 -140.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.398 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' N ' ' OG1' ' A' ' 17' ' ' THR . 2.7 tp10 -91.26 -32.17 15.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -126.57 33.98 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.603 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.37 137.78 36.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -159.46 173.72 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.535 HG11 ' HG2' ' A' ' 42' ' ' LYS . 2.9 t -142.69 133.89 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.54 96.57 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.777 HG11 HG23 ' A' ' 35' ' ' ILE . 94.7 t -93.83 119.78 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -88.55 98.24 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.584 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -112.81 -179.76 3.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' CD ' ' OE1' ' A' ' 8' ' ' GLU . 17.1 mmtm -80.2 173.13 12.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.8 m -76.76 -7.95 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.85 18.75 5.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.549 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -73.35 146.47 45.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.797 HG22 ' O ' ' A' ' 67' ' ' ASN . 14.1 pt -89.85 167.13 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 1.095 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -59.93 -44.02 94.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER -48.63 -44.41 37.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.657 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.5 mm-40 -59.12 -15.36 13.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.942 HG13 HG21 ' A' ' 70' ' ' VAL . 3.8 mm -102.12 -52.59 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.775 ' HB2' HD21 ' A' ' 52' ' ' LEU . 14.2 tp -52.45 -40.32 62.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.466 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -63.61 -29.93 71.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.73 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.5 t -85.2 -54.3 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.694 HG11 HG11 ' A' ' 14' ' ' VAL . 40.8 t -52.97 -53.67 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -36.39 -44.7 0.44 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -46.71 53.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.73 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.17 -21.24 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.756 HD11 HD11 ' A' ' 50' ' ' LEU . 1.7 pt -110.48 -20.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ALA . 22.8 mt-30 78.23 58.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.504 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -138.3 -162.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 110.99 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.649 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -113.67 107.41 15.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.721 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -47.61 -42.18 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -61.52 -20.97 63.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.649 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 75.4 m-20 -97.79 -6.36 32.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.756 HD11 HD11 ' A' ' 43' ' ' ILE . 89.5 mt -108.1 179.84 4.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.39 143.09 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.095 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.9 OUTLIER -83.88 118.46 23.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.614 HG21 ' CE1' ' A' ' 84' ' ' TYR . 1.9 m -119.48 123.29 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.55 156.74 17.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 61' ' ' LYS . 1.7 mt -125.89 156.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.2 t -113.69 169.57 8.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -66.9 83.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 169.26 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.99 67.41 0.71 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -140.12 112.22 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 3.6 mttt -73.23 147.35 44.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -150.84 110.04 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.61 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.02 118.12 20.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 68' ' ' ASP . 2.4 mm? -76.91 -122.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.705 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 17.5 mt-30 -157.9 170.15 9.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.705 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -74.94 10.96 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.797 ' O ' HG22 ' A' ' 31' ' ' ILE . 1.7 t30 -128.91 -36.71 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.486 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -41.13 116.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 69' ' ' LEU . 14.3 mt -50.86 144.29 8.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.942 HG21 HG13 ' A' ' 35' ' ' ILE . 12.1 m -113.3 50.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.439 HG13 ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -171.66 -44.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.8 t -116.81 140.85 48.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -161.39 79.51 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.566 ' CB ' HD13 ' A' ' 75' ' ' LEU . 0.4 OUTLIER 70.49 -69.34 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.566 HD13 ' CB ' ' A' ' 74' ' ' SER . 0.0 OUTLIER -157.36 28.79 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.6 155.78 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.92 -66.36 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.16 164.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.82 -170.29 23.19 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -131.53 110.21 10.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 0.721 . . . . 0.0 110.32 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 29.5 mm -88.03 148.27 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -133.6 177.22 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -144.68 129.09 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.865 ' HB2' HD13 ' A' ' 92' ' ' LEU . 5.8 m-85 -121.28 169.62 10.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.408 ' HA ' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -94.08 139.37 31.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 110.299 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.562 ' HG2' HD21 ' A' ' 92' ' ' LEU . 1.3 mtpt -105.9 128.8 54.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.6 p-10 -134.41 -148.94 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 88' ' ' LEU . 1.5 mm? -71.19 -10.81 60.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.39 114.14 28.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.21 -40.24 11.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 92' ' ' LEU . 1.5 m -50.33 179.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.865 HD13 ' HB2' ' A' ' 84' ' ' TYR . 15.0 mt -132.56 137.48 47.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -120.16 137.92 26.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 130.15 13.02 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.512 1.796 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.429 ' HZ ' HD22 ' A' ' 50' ' ' LEU . 68.9 m-85 -45.72 -60.84 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -98.54 91.39 5.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -47.27 168.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -79.51 160.17 26.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.21 139.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 134.7 -117.1 1.71 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 158.13 42.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.0 t 64.15 143.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.3 t -152.2 111.88 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.4 -59.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 0.792 . . . . 0.0 109.976 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.3 76.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.45 102.87 2.84 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.01 79.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.944 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -62.1 -74.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.71 -104.94 3.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -115.19 -7.61 12.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 9' ' ' GLU . 7.1 pt-20 -91.82 113.54 25.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.731 HG21 HD13 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -135.39 179.29 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -134.63 135.45 42.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.955 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.742 ' SG ' HG21 ' A' ' 35' ' ' ILE . 35.6 t -108.0 121.67 45.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.35 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.408 ' NE2' ' HB2' ' A' ' 23' ' ' SER . 59.3 m80 -108.21 121.01 43.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.593 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 39' ' ' VAL . 1.1 m -112.37 122.91 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' CE2' ' HD3' ' A' ' 80' ' ' ARG . 3.4 m-30 -90.57 116.48 28.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 21' ' ' TYR . 1.7 mp -71.68 -55.1 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.478 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 77.4 p -117.91 -137.24 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 110.429 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.08 -40.31 13.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -123.72 33.01 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.478 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 3.1 m -136.87 135.83 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.533 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 29.2 p90 -160.69 176.66 11.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.734 HG21 HG13 ' A' ' 39' ' ' VAL . 2.4 t -132.51 133.8 59.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.408 ' HB2' ' NE2' ' A' ' 13' ' ' HIS . 2.2 p -95.46 109.24 21.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.026 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.552 HG21 HG23 ' A' ' 39' ' ' VAL . 51.8 t -107.79 144.73 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 11.6 tttt -111.09 98.78 7.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.574 ' CB ' HD11 ' A' ' 35' ' ' ILE . . . -124.05 -179.55 4.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.0 mmtm -88.75 175.68 7.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -77.12 -14.51 14.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.499 ' O ' HD11 ' A' ' 69' ' ' LEU . 8.0 t -113.27 7.36 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.533 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -72.75 128.36 35.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 67' ' ' ASN . 16.0 pt -67.44 164.67 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.956 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -60.69 -43.41 97.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.463 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -48.86 -40.23 28.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 110.286 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 38' ' ' VAL . 2.5 mm-40 -59.55 -15.51 18.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.742 HG21 ' SG ' ' A' ' 12' ' ' CYS . 6.1 mm -101.76 -51.69 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.785 HD13 HD13 ' A' ' 52' ' ' LEU . 14.3 tp -53.72 -40.09 65.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' HE3' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -62.81 -30.23 71.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.812 HG12 ' CE ' ' A' ' 42' ' ' LYS . 13.7 t -83.29 -58.65 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG11 HG21 ' A' ' 14' ' ' VAL . 81.2 t -47.8 -55.08 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.28 -44.71 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.7 OUTLIER -69.69 -44.78 69.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.346 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.812 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -52.34 -29.18 22.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.514 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 2.2 pt -104.49 -18.64 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 40' ' ' ALA . 38.7 mt-30 76.69 55.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.645 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -131.05 -162.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.599 ' HB3' ' CG ' ' A' ' 49' ' ' ASP . . . -111.43 101.39 9.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.736 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.2 pt-20 -42.64 -43.85 4.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.63 -35.02 71.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.312 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.599 ' CG ' ' HB3' ' A' ' 46' ' ' ALA . 13.9 m-20 -79.91 -14.16 58.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -102.88 -179.65 4.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.279 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.06 150.08 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.956 HD23 ' HB1' ' A' ' 32' ' ' ALA . 0.5 OUTLIER -82.13 110.57 17.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 82' ' ' TYR . 16.4 t -102.93 109.9 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.64 117.63 33.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.467 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.2 mt -94.32 158.33 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.61 HG22 ' HG2' ' A' ' 60' ' ' GLU . 8.2 t -114.54 177.75 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -58.64 -55.66 32.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.18 -31.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.024 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.95 67.22 0.94 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.61 ' HG2' HG22 ' A' ' 56' ' ' THR . 3.1 pt-20 -146.2 132.68 19.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.279 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.404 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -71.23 149.54 46.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.84 130.13 15.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.565 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.96 141.73 36.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -123.27 -159.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.29 162.98 19.16 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.437 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -75.04 -5.33 16.64 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.625 ' O ' HG22 ' A' ' 31' ' ' ILE . 29.6 m-20 -110.45 -3.07 16.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.6 130.02 40.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 69' ' ' LEU . 1.5 tp -55.63 148.1 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.83 45.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.731 HD13 HG21 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -172.57 -171.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.53 ' N ' HG23 ' A' ' 71' ' ' ILE . 0.5 OUTLIER 65.89 126.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.59 144.95 50.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.4 m -57.64 -70.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.98 -51.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -49.29 127.31 14.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.93 73.41 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.43 153.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 149.17 179.62 25.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.571 ' HD3' ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -167.76 133.83 2.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 0.744 . . . . 0.0 110.267 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.419 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.3 mp -91.95 153.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.544 ' CD2' ' O ' ' A' ' 15' ' ' TYR . 12.4 m-85 -135.89 176.27 8.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.617 HG23 ' HB3' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -139.89 113.1 5.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.74 ' CB ' HD22 ' A' ' 92' ' ' LEU . 6.2 m-85 -107.42 174.19 5.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.524 ' O ' HD23 ' A' ' 92' ' ' LEU . 30.8 mtm105 -105.11 138.43 41.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -89.08 120.0 30.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -167.06 130.5 1.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 88' ' ' LEU . 19.3 mt 61.51 110.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 55.9 -164.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.246 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -101.82 44.89 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.9 m -99.3 174.63 6.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.74 HD22 ' CB ' ' A' ' 84' ' ' TYR . 55.2 mt -148.95 130.92 15.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.469 ' N ' ' ND2' ' A' ' 93' ' ' ASN . 0.4 OUTLIER -113.3 148.72 40.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 121.7 6.74 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -41.74 159.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.82 -76.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.84 142.18 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t30 173.28 92.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -80.86 -58.28 3.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.66 -172.93 53.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.5 38.62 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.2 p -160.79 150.89 17.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.96 -60.05 1.73 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.045 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -76.1 156.41 33.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.777 . . . . 0.0 109.97 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -122.98 110.86 15.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.84 73.66 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p 179.69 144.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 109.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -72.53 79.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.82 120.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.12 54.72 2.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.47 ' O ' HG22 ' A' ' 10' ' ' ILE . 2.8 mt-10 -93.13 -80.83 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER 56.24 164.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.532 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 12.9 m-85 -135.42 155.54 50.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -112.66 101.35 9.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 108.319 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -71.26 109.69 5.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.587 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 39' ' ' VAL . 2.1 t -106.56 105.84 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.515 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 4.1 m-85 -85.43 117.39 24.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 111.038 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.8 mt -73.77 -60.42 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.532 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 71.7 p -112.84 -135.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.441 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.583 ' HG3' ' CD2' ' A' ' 19' ' ' HIS . 12.7 pt-20 -95.57 -34.26 12.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.583 ' CD2' ' HG3' ' A' ' 18' ' ' GLU . 90.8 m-70 -125.71 34.17 4.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.532 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 1.5 m -139.84 141.12 36.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 3.6 p90 -159.05 -178.61 7.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.702 HG11 HG13 ' A' ' 39' ' ' VAL . 2.3 p -153.71 137.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 p -88.74 131.42 35.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.708 HG11 HG23 ' A' ' 35' ' ' ILE . 56.4 t -128.7 116.24 40.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HD3' ' CE1' ' A' ' 11' ' ' PHE . 0.7 OUTLIER -82.11 98.82 8.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -116.26 179.94 3.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -71.11 176.45 4.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.0 p -79.58 -5.07 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.2 m -144.57 34.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.966 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.482 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -76.92 157.21 31.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.049 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 33' ' ' GLN . 13.8 pt -96.64 162.91 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.817 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -58.73 -45.1 90.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.489 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.0 tp60 -45.52 -48.69 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.901 ' O ' HG23 ' A' ' 38' ' ' VAL . 40.6 mt-10 -57.83 -29.65 65.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.708 HG23 HG11 ' A' ' 24' ' ' VAL . 10.3 mm -83.64 -40.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.909 ' HB2' HD21 ' A' ' 52' ' ' LEU . 15.8 tp -56.61 -51.53 68.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.507 ' CB ' ' OE2' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -55.47 -31.61 62.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 34' ' ' GLU . 41.6 t -79.79 -65.24 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 14' ' ' VAL . 97.7 t -45.6 -53.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -37.66 -44.25 0.69 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.02 -44.8 60.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.622 ' CE ' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -55.53 -21.77 18.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.732 HD11 HD11 ' A' ' 50' ' ' LEU . 1.3 pt -111.89 -16.3 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 40' ' ' ALA . 23.9 mt-30 73.46 58.98 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -138.17 -162.53 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -113.99 107.68 16.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.719 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -45.49 -44.48 12.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.89 -25.73 65.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' ALA . 2.6 m-20 -90.38 -6.66 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.732 HD11 HD11 ' A' ' 43' ' ' ILE . 62.6 mt -107.31 169.05 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB3' HD11 ' A' ' 92' ' ' LEU . . . -153.12 133.33 13.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.909 HD21 ' HB2' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -83.7 118.71 24.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.834 HG12 ' HA ' ' A' ' 63' ' ' GLU . 5.7 m -133.31 133.26 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.734 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -94.95 157.45 15.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.54 HG13 ' CD1' ' A' ' 82' ' ' TYR . 3.1 mt -127.8 157.1 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.1 t -109.33 166.91 10.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.428 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -48.66 -55.61 10.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -41.78 -65.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.66 72.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 55' ' ' ILE . 52.6 mt-10 -146.15 130.61 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 3.3 mtmm -80.2 144.08 33.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -140.87 111.9 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.585 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.834 ' HA ' HG12 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -85.76 149.85 24.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.266 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.665 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -127.16 -154.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -108.16 163.1 17.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.446 ' O ' HD12 ' A' ' 31' ' ' ILE . 18.2 Cg_endo -74.96 -2.91 13.15 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.488 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -112.99 -4.51 13.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.58 125.07 25.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 69' ' ' LEU . 13.1 mt -53.72 142.13 24.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -108.14 19.02 6.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 71' ' ' ILE . 0.1 OUTLIER -150.49 109.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 p -179.6 166.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.984 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt 56.83 90.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.5 m -60.77 -66.0 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.54 65.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -158.54 47.46 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -155.03 -61.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.62 80.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.466 ' O ' ' CG ' ' A' ' 80' ' ' ARG . . . -171.49 -132.97 1.56 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 79' ' ' GLY . 3.8 mtt180 166.8 153.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 0.775 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.734 HD13 ' HB2' ' A' ' 54' ' ' ALA . 47.4 mm -85.9 145.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CD1' HG13 ' A' ' 55' ' ' ILE . 63.1 m-85 -140.74 138.85 34.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.446 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 8.0 p -104.82 153.93 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.846 ' HB2' HD12 ' A' ' 92' ' ' LEU . 54.5 m-85 -155.44 175.97 13.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -91.47 124.1 35.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.17 134.46 52.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.7 OUTLIER 165.44 -69.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.7 HD13 ' HB2' ' A' ' 93' ' ' ASN . 1.3 mt -51.64 90.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 87' ' ' ASP . . . 37.22 -153.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -64.48 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.416 ' O ' ' O ' ' A' ' 88' ' ' LEU . 7.4 m -46.68 165.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.355 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.846 HD12 ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -112.26 -170.48 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.705 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 0.7 OUTLIER -164.66 155.01 12.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.611 ' HA ' ' CD1' ' A' ' 84' ' ' TYR . 18.3 Cg_endo -74.99 124.48 8.66 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.968 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 85' ' ' ARG . 8.6 m-85 -44.52 -83.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -85.52 -173.47 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -145.08 131.65 19.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 61.06 147.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.8 t -176.85 155.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -58.37 117.69 11.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 152.37 40.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.14 120.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.66 113.17 25.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.025 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -110.77 96.73 6.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 109.993 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.34 -59.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.971 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.18 77.13 0.23 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.109 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.49 -61.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 109.996 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -86.19 139.94 30.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 110.021 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.79 -154.0 0.45 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HB2' HG11 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -124.22 23.48 8.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.749 . . . . 0.0 110.316 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 56.64 95.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.713 HG21 HD13 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -150.72 180.0 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -134.94 148.09 49.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.909 ' SG ' HG21 ' A' ' 35' ' ' ILE . 10.8 t -113.25 115.54 28.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -90.57 121.85 32.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.463 HG11 HG11 ' A' ' 39' ' ' VAL . 23.0 t -120.07 98.62 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.468 ' HB3' ' CE2' ' A' ' 82' ' ' TYR . 3.4 m-85 -70.07 113.1 6.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.517 HD11 ' CG2' ' A' ' 22' ' ' VAL . 12.0 mt -72.42 -60.9 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.483 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 66.9 p -106.83 -135.32 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.79 -33.16 11.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.304 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -128.22 35.87 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.483 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 3.4 m -139.3 143.08 37.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.034 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -159.17 -178.58 7.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.58 HG11 ' HG2' ' A' ' 42' ' ' LYS . 4.1 t -142.64 141.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.0 p -100.54 91.21 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.568 ' HB ' HG23 ' A' ' 35' ' ' ILE . 90.6 t -90.79 123.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.5 98.91 11.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.571 ' HB2' ' CD1' ' A' ' 35' ' ' ILE . . . -117.84 -179.79 3.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -74.42 176.45 6.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.41 HG11 ' HB2' ' A' ' 8' ' ' GLU . 11.2 p -80.44 -7.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.1 t -139.72 31.45 2.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.994 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.453 ' O ' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -76.43 160.06 29.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.987 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 67' ' ' ASN . 13.2 pt -92.59 166.22 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 1.044 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -60.78 -43.5 98.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.525 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -48.62 -43.31 36.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 38' ' ' VAL . 25.7 mm-40 -58.07 -20.75 41.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.909 HG21 ' SG ' ' A' ' 12' ' ' CYS . 4.5 mm -101.12 -48.27 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.768 ' HB2' HD21 ' A' ' 52' ' ' LEU . 13.0 tp -56.44 -39.48 73.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' CG ' ' O ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -62.49 -31.13 71.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.957 HG12 ' HE3' ' A' ' 42' ' ' LYS . 12.5 t -83.61 -56.76 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.463 HG11 HG11 ' A' ' 14' ' ' VAL . 95.0 t -48.59 -54.07 5.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -40.39 -49.25 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -69.1 -44.6 72.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.957 ' HE3' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -51.93 -29.62 20.96 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.503 HD11 HD11 ' A' ' 50' ' ' LEU . 2.5 pt -104.17 -18.71 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ALA . 34.7 mt-30 78.61 55.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.2 OUTLIER -132.41 -160.32 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.611 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -114.57 103.94 11.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.737 ' O ' HD21 ' A' ' 36' ' ' LEU . 9.8 pt-20 -45.33 -42.91 10.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -60.12 -31.1 69.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.611 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 44.8 m-20 -88.11 -3.88 58.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.628 ' HB3' HD11 ' A' ' 36' ' ' LEU . 80.9 mt -108.03 177.1 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HB1' ' CG ' ' A' ' 63' ' ' GLU . . . -168.49 144.88 3.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.044 HD23 ' HB1' ' A' ' 32' ' ' ALA . 1.5 mm? -83.13 119.11 24.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 61' ' ' LYS . 75.0 t -107.68 109.65 29.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.711 ' CB ' HD21 ' A' ' 64' ' ' LEU . . . -88.77 143.99 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.626 HD13 ' HA ' ' A' ' 61' ' ' LYS . 4.1 mm -115.73 146.04 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 t -120.57 -178.59 3.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.433 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -44.9 166.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.24 -72.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.028 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.2 68.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.12 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -126.8 124.11 38.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 0.79 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.626 ' HA ' HD13 ' A' ' 55' ' ' ILE . 7.5 mttt -90.32 148.67 22.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -149.97 126.25 10.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.547 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.606 ' HG3' HD11 ' A' ' 92' ' ' LEU . 1.2 tt0 -89.08 115.52 26.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.711 HD21 ' CB ' ' A' ' 54' ' ' ALA . 2.5 mm? -75.36 -123.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.699 ' HB3' ' HD2' ' A' ' 66' ' ' PRO . 7.7 mt-30 -157.86 170.65 8.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.699 ' HD2' ' HB3' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.99 8.37 2.44 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.683 ' O ' HG22 ' A' ' 31' ' ' ILE . 0.3 OUTLIER -123.66 -34.32 3.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.457 ' CB ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -50.47 125.34 12.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 30' ' ' SER . 20.7 mt -50.25 152.2 1.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.461 HG21 ' CG1' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -109.9 -14.61 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.713 HD13 HG21 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -150.52 106.39 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.9 p 179.83 175.08 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.64 -173.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.75 46.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -117.88 24.72 10.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 3.2 mt-10 -124.28 -66.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 76' ' ' GLU . . . 66.24 143.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.9 p 45.16 91.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 0.0 109.987 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -151.81 -166.43 14.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.102 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.89 141.39 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 81' ' ' ILE . 4.3 mp -110.33 158.66 10.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.468 ' CE2' ' HB3' ' A' ' 15' ' ' TYR . 96.2 m-85 -140.55 176.91 8.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 51' ' ' ALA . 2.5 p -134.09 128.04 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.785 ' HB2' HD13 ' A' ' 92' ' ' LEU . 5.1 m-85 -116.56 170.06 8.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 4.4 ttm105 -97.18 120.71 38.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.615 ' HE3' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -60.08 163.54 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.53 -166.52 2.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.87 ' N ' HD23 ' A' ' 88' ' ' LEU . 0.1 OUTLIER -102.89 60.81 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -174.52 -156.54 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.76 26.73 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.69 161.4 19.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.785 HD13 ' HB2' ' A' ' 84' ' ' TYR . 7.5 mt -125.02 -50.85 1.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 64.86 133.88 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -178.48 4.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -102.77 178.28 4.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . 53.75 173.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.56 -60.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.62 155.59 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.2 m -48.32 140.13 7.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.033 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 121.14 -145.61 17.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 157.86 42.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.434 1.755 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.2 p -135.67 -58.21 0.77 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 84.1 p -47.22 129.76 12.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.023 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.562 1.164 . . . . 0.0 110.973 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 m -155.14 -57.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.53 165.64 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.55 103.29 0.18 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -129.83 169.59 14.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.759 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.79 155.58 33.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.429 1.081 . . . . 0.0 110.054 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.56 85.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -134.3 -68.0 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 61.53 110.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 tt -171.94 156.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -135.64 147.28 48.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.626 ' SG ' HG21 ' A' ' 35' ' ' ILE . 38.1 t -108.9 95.34 5.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.412 ' HB2' ' NH1' ' A' ' 80' ' ' ARG . 13.3 m80 -80.71 111.74 17.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.725 HG22 HG13 ' A' ' 22' ' ' VAL . 3.2 m -108.39 128.71 63.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.563 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . 3.9 m-30 -95.67 115.06 26.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' SER . 2.7 mt -64.45 -56.54 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.413 ' HG1' ' HG ' ' A' ' 20' ' ' SER . 71.0 p -118.83 -134.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.2 -37.98 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 110.25 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -125.52 35.39 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.58 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' ILE . 1.5 m -139.77 137.03 34.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.466 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 24.4 p90 -160.63 171.27 19.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.037 HG11 HG13 ' A' ' 39' ' ' VAL . 2.5 p -144.5 122.97 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 p -76.23 147.42 38.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.802 HG11 HG23 ' A' ' 35' ' ' ILE . 38.1 t -139.25 127.36 27.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 tttt -91.31 98.46 11.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.617 ' HB1' ' CB ' ' A' ' 30' ' ' SER . . . -120.94 178.94 4.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -80.49 171.08 15.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.96 -13.4 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.245 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.414 ' HA ' HD11 ' A' ' 69' ' ' LEU . 6.3 t -126.21 26.95 6.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.617 ' CB ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER -82.09 129.09 34.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.039 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.679 HD12 ' HB3' ' A' ' 33' ' ' GLN . 8.5 pt -70.55 163.7 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.712 ' HB1' HD23 ' A' ' 52' ' ' LEU . . . -57.74 -40.79 80.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.679 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.5 tp-100 -51.24 -44.19 61.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.692 ' O ' HG23 ' A' ' 38' ' ' VAL . 50.2 mm-40 -60.59 -15.37 27.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.903 HG13 HG21 ' A' ' 70' ' ' VAL . 5.4 mm -97.12 -50.43 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.914 HD11 ' CB ' ' A' ' 50' ' ' LEU . 21.3 tp -52.04 -45.65 64.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HE3' ' CG2' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -58.53 -27.71 64.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.7 HG12 ' CE ' ' A' ' 42' ' ' LYS . 19.9 t -85.8 -48.56 15.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.037 HG13 HG11 ' A' ' 22' ' ' VAL . 95.8 t -57.74 -51.98 63.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 44' ' ' GLN . . . -39.77 -46.32 1.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -39.42 74.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.875 ' HB3' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -62.81 -20.26 64.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.556 ' CG1' ' HB2' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -120.23 5.77 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' ALA . 29.0 mt-30 50.07 62.73 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.556 ' HB2' ' CG1' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -135.84 -161.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.997 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.533 ' HB3' ' OD2' ' A' ' 49' ' ' ASP . . . -116.67 105.3 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.765 ' O ' HD21 ' A' ' 36' ' ' LEU . 8.7 pt-20 -44.09 -47.26 8.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.1 -26.91 61.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.533 ' OD2' ' HB3' ' A' ' 46' ' ' ALA . 49.9 m-20 -91.51 -4.53 55.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.914 ' CB ' HD11 ' A' ' 36' ' ' LEU . 81.1 mt -107.12 168.73 9.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.725 ' HB3' HD11 ' A' ' 92' ' ' LEU . . . -153.32 136.81 15.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.843 HD21 ' HB2' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -82.42 111.62 18.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.769 HG21 ' HB2' ' A' ' 92' ' ' LEU . 59.5 t -115.56 131.84 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -105.21 156.5 18.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.571 HG13 ' CD1' ' A' ' 82' ' ' TYR . 2.4 mt -126.86 157.87 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.8 t -107.6 168.96 8.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -46.25 -58.3 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 63.4 m -44.42 -65.5 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.91 74.58 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -145.75 123.45 11.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 0.771 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 55' ' ' ILE . 7.3 mtmt -70.87 141.7 51.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -139.16 112.13 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.632 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.83 132.7 35.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -114.55 -159.04 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -105.67 163.63 16.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.309 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.55 3.07 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -77.12 112.05 13.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -47.8 131.26 14.98 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.903 HG21 HG13 ' A' ' 35' ' ' ILE . 4.1 m -93.68 24.88 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.9 mm -131.25 -74.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 t -52.25 164.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.93 80.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.431 ' HB2' HD23 ' A' ' 75' ' ' LEU . 14.4 p -46.0 -62.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 74' ' ' SER . 0.6 OUTLIER -167.91 53.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -124.66 -44.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 78' ' ' SER . . . 59.69 -173.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER 163.48 -70.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 120.38 -42.54 1.71 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 13' ' ' HIS . 1.2 mmp_? -157.84 138.64 13.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 110.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.416 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 42.7 mm -87.32 159.21 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' HG13 ' A' ' 55' ' ' ILE . 33.8 m-85 -141.03 142.8 34.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.54 HG11 HG11 ' A' ' 39' ' ' VAL . 3.4 p -110.68 152.63 12.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.866 ' HB2' HD12 ' A' ' 92' ' ' LEU . 57.3 m-85 -154.35 177.54 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.576 ' HG2' ' CE1' ' A' ' 95' ' ' PHE . 0.3 OUTLIER -99.0 117.94 34.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 mtpt -59.07 128.38 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 175.23 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 93' ' ' ASN . 1.3 mt -68.98 84.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 88' ' ' LEU . . . 39.2 -155.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -56.84 -73.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.431 ' C ' ' CD2' ' A' ' 92' ' ' LEU . 8.1 m -41.61 163.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.866 HD12 ' HB2' ' A' ' 84' ' ' TYR . 0.1 OUTLIER -111.38 -171.74 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.69 ' O ' ' CD1' ' A' ' 84' ' ' TYR . 14.3 m-80 -161.72 152.42 14.87 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.568 ' HA ' ' CD1' ' A' ' 84' ' ' TYR . 18.4 Cg_endo -75.03 132.92 15.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.968 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.576 ' CE1' ' HG2' ' A' ' 85' ' ' ARG . 33.8 m-85 -53.43 177.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -103.32 130.46 50.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -55.24 166.92 0.5 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 58.45 159.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.22 124.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.66 160.64 14.18 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 99.56 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t 77.97 -59.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.71 95.79 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.056 -179.949 . . . . . . . . 0 0 . 1 stop_ save_