data_2dna_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 2dna _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 ' 15' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -46.35 -32.85 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.07 . . . . 0.0 110.233 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.76 -39.84 86.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' PRO . 3.6 ttt180 -71.71 -47.22 55.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -102.1 34.21 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -66.86 -58.75 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -30.55 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 20' ' ' SER . 1.7 mp0 -79.21 -54.68 5.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.611 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 58.9 mmm -46.64 -32.32 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.25 -42.6 54.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -41.23 96.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 mt -57.36 -54.48 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -47.52 -52.55 17.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.249 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.63 -48.69 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -32.35 72.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.373 1.046 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 129.29 -12.53 6.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -69.34 75.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.9 m -69.94 -31.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -44.35 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.611 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 91.1 t80 -79.0 -63.67 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -46.03 -27.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.41 -64.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -45.47 -53.22 9.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.49 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -44.12 -65.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -51.87 -50.58 60.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.93 -47.06 61.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mt -56.35 -57.12 13.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.2 mt -55.76 -27.35 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.37 -23.23 54.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 64.2 p -112.15 11.16 20.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 44.89 49.62 9.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.57 77.61 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -151.17 108.26 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.8 p -66.43 -59.3 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -41.09 -66.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.32 -53.52 49.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 47' ' ' ASP . . . -43.87 -48.27 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 mt -64.48 -58.14 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -44.02 -44.19 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -67.64 -61.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mt -43.74 -61.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.99 -58.38 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.94 -0.446 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -46.74 -43.33 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.244 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.76 -36.91 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' PRO . 2.7 ttt180 -70.28 -58.43 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.233 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.462 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 11.4 m-85 -96.68 41.53 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -73.63 -52.05 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -25.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' CB ' HD21 ' A' ' 41' ' ' LEU . 4.4 mp0 -84.73 -54.57 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.304 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.64 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 58.0 mmm -45.56 -30.0 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.86 -43.74 24.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -40.52 93.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.302 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 29' ' ' MET . 5.1 mt -61.21 -59.54 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.405 ' NE2' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -40.07 -45.79 2.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 110.319 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.7 -49.86 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' LEU . 21.1 mtm -58.07 -34.04 69.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.28 -12.76 4.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.432 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 47.0 m-85 -68.78 79.19 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.405 HG12 ' NE2' ' A' ' 27' ' ' GLN . 16.0 m -76.07 -18.49 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -58.38 92.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.64 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 85.7 t80 -72.1 -62.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -46.06 -38.46 7.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.34 -63.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 31' ' ' PHE . 94.6 m-20 -44.61 -55.19 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -44.72 -60.66 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -49.61 -52.41 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.03 -54.6 28.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' THR . 16.2 mt -47.16 -62.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.7 mt -49.86 -37.85 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.02 -32.27 70.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' LEU . 24.2 p -109.44 17.62 21.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 t70 42.02 47.94 3.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.462 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 78.69 80.2 0.75 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.24 100.39 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.757 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.8 p -56.72 -59.85 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.495 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -42.55 -65.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.01 -53.19 35.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.381 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.84 -55.09 8.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' TYR . 4.0 mt -54.76 -65.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -37.76 -46.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -63.94 -63.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.8 mt -43.54 -61.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.35 -61.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.219 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.147 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.056 -0.402 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -44.05 -43.18 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.69 -42.91 96.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' PRO . 11.3 ttm-85 -64.58 -54.71 27.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' HA3' ' A' ' 46' ' ' GLY . 15.0 m-85 -96.81 34.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' GLU . 7.1 p -69.14 -43.73 73.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.926 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -27.53 41.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.93 -52.34 6.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.609 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 56.8 mmm -45.41 -31.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.88 -48.54 20.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -41.38 77.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 108.278 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mt -58.42 -60.48 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -50.01 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.91 -52.6 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.1 mtm -57.11 -31.3 65.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 127.84 -10.62 6.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -70.47 75.17 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.9 m -69.06 -29.33 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 2.2 t-20 -47.16 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.609 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 84.6 t80 -76.3 -65.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.07 -42.29 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HB1' ' ND2' ' A' ' 33' ' ' ASN . . . -68.52 -66.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 96.6 m-20 -43.02 -51.38 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.554 HD13 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -46.44 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -48.98 -54.87 13.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' THR . . . -46.13 -55.76 6.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' ASP . 23.4 mt -46.88 -54.5 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.4 mt -57.87 -40.99 78.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.37 -23.6 65.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 58.9 p -111.83 18.5 18.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.7 t0 41.13 68.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.487 ' HA3' ' CD1' ' A' ' 19' ' ' PHE . . . 47.49 80.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -156.11 106.07 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.4 p -61.27 -51.36 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -43.36 -62.77 0.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.449 ' HB2' ' CG2' ' A' ' 44' ' ' THR . . . -55.34 -50.6 69.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.05 -52.11 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.1 mt -56.23 -63.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -42.25 -47.97 4.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -62.63 -61.83 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.7 mt -44.4 -62.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.77 -62.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -46.29 -37.89 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.88 -38.32 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.8 tmt_? -75.0 -55.7 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -90.72 30.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' N ' ' A' ' 22' ' ' GLU . 1.3 p -65.26 -56.39 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -29.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 20' ' ' SER . 2.2 mp0 -80.44 -52.67 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.592 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 64.4 mmm -45.99 -36.53 5.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -49.56 44.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -52.91 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 108.24 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mt -45.63 -50.69 13.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -53.0 -55.93 19.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.23 -52.36 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.4 mtm -55.99 -34.47 65.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 133.35 -13.34 4.9 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -68.33 75.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' TYR . 23.6 m -71.49 -15.54 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 37' ' ' ASN . 14.5 p-10 -60.06 84.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.592 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 87.0 t80 -67.16 -69.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -41.9 -47.83 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.38 -59.26 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 74.1 m-20 -44.57 -53.14 7.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -45.48 -69.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -44.55 -56.66 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.9 -54.93 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.6 mt -48.22 -60.06 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.3 mt -51.82 -43.34 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -22.36 64.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.462 ' CG2' ' HB1' ' A' ' 50' ' ' ALA . 52.1 p -117.47 17.18 14.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' LEU . 11.0 t0 40.57 52.19 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.74 89.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -160.27 83.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.9 p -38.69 -58.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -41.9 -65.58 0.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.462 ' HB1' ' CG2' ' A' ' 44' ' ' THR . . . -52.68 -54.35 34.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.52 -52.0 10.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.418 1.074 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mt -61.79 -56.93 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -46.73 -47.93 20.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -63.05 -63.42 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.401 HD22 ' ND2' ' A' ' 33' ' ' ASN . 38.7 mt -41.96 -61.34 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.65 -62.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -47.42 -39.29 15.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.1 -34.76 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -75.54 -54.39 7.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 110.374 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -90.42 25.07 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 111.068 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -58.02 -54.11 50.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.932 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -45.34 -37.93 5.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -71.59 -55.12 8.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.558 ' HE1' ' CE1' ' A' ' 34' ' ' TYR . 49.9 mmm -43.71 -34.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -52.65 10.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -39.22 71.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.91 -55.34 35.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -48.56 -53.27 18.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.89 -48.15 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.7 mtm -61.98 -28.57 69.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 126.21 -12.56 7.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -68.19 71.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 26.4 m -64.23 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.42 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 8.7 m120 -43.93 96.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CE1' ' HE1' ' A' ' 23' ' ' MET . 43.8 t80 -81.07 -62.49 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -44.32 -30.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.292 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.76 -57.48 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 90.3 m-20 -44.25 -53.33 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -48.1 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -43.96 -53.42 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.237 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.15 -52.58 58.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' ASP . 16.0 mt -50.27 -57.11 8.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.25 -35.81 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.6 -23.06 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.3 p -112.0 16.84 20.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.6 t70 42.26 32.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.09 98.5 0.54 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.53 1.144 . . . . 0.0 111.054 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -171.44 85.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -38.83 -52.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.18 -64.49 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.88 -50.57 66.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.69 -54.16 15.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 mt -54.07 -60.64 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -44.61 -51.27 9.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -58.44 -57.76 11.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.1 mt -50.32 -62.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.28 -61.91 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.6 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 109.979 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.457 ' CB ' HD12 ' A' ' 42' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.067 -0.397 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -44.66 -36.69 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.168 . . . . 0.0 110.327 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.5 t -71.7 -40.82 70.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 14.6 ttt180 -63.68 -50.16 70.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 13.8 m-85 -105.08 45.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -77.54 -43.71 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.076 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -49.44 -32.16 11.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' CYS . 11.7 mp0 -79.21 -61.18 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.63 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 49.7 mmm -38.29 -36.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 111.059 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -48.95 53.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -61.64 -39.43 91.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 108.342 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 mt -56.52 -56.13 25.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -47.52 -55.19 9.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.98 -52.88 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.5 mtm -56.98 -33.73 67.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 131.65 -12.47 5.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -68.83 75.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 22.4 m -68.89 -38.52 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.449 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 2.2 m-20 -40.78 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.63 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 87.9 t80 -78.4 -65.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -43.63 -35.6 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 33' ' ' ASN . . . -73.55 -66.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 96.5 m-20 -43.24 -54.23 4.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -43.6 -62.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -49.17 -59.34 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.27 -52.21 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.374 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ASP . 44.4 mt -51.17 -65.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.457 HD12 ' CB ' ' A' ' 15' ' ' PRO . 55.7 mt -47.1 -44.45 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.93 69.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' LEU . 51.3 p -106.02 17.46 23.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.357 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 21.9 m-20 41.19 47.2 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.02 87.5 0.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -157.15 85.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -47.28 -48.41 24.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -49.14 -66.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.444 1.09 . . . . 0.0 109.22 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.75 -49.97 69.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.95 -50.98 25.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.1 mt -57.74 -64.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -41.47 -48.22 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -60.22 -59.95 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.3 mt -45.8 -61.9 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.224 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.55 -61.98 0.96 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.226 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -49.51 -37.41 26.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.147 . . . . 0.0 110.259 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.3 t -73.93 -26.13 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -77.9 -40.01 41.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -112.16 23.04 14.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -57.49 -47.74 81.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -30.52 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CB ' HD22 ' A' ' 41' ' ' LEU . 2.0 mp0 -87.98 -30.15 20.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.596 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 59.3 mmm -66.71 -32.24 73.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -45.81 28.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -40.48 88.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.265 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.51 -52.3 65.95 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -49.78 -53.51 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.77 -51.45 12.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 56.6 mtm -58.44 -29.42 66.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 126.1 -11.13 7.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.56 74.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.413 0.714 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' TYR . 17.3 m -67.64 -31.77 53.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 9.5 t-20 -45.94 96.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.596 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 91.8 t80 -77.91 -64.96 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -43.73 -36.32 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.414 ' CB ' ' CG ' ' A' ' 33' ' ' ASN . . . -73.62 -62.96 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.374 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 95.7 m-20 -44.86 -47.58 11.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -51.93 -65.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -48.7 -55.91 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.96 -54.81 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.384 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.44 HD22 ' CB ' ' A' ' 22' ' ' GLU . 29.1 mt -51.49 -57.67 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.412 HD12 ' CB ' ' A' ' 15' ' ' PRO . 54.4 mt -53.56 -33.39 22.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.369 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.13 -24.13 59.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.1 p -109.49 16.82 21.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 45.98 30.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.95 96.32 0.7 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -170.6 90.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.3 p -39.78 -56.22 1.79 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -40.88 -65.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.01 26.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.53 -55.69 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 mt -55.23 -57.44 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.04 -51.49 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -61.0 -61.96 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mt -42.79 -56.53 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.44 -62.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.194 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.984 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.33 -42.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.12 -46.44 87.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 19' ' ' PHE . 24.0 ttt180 -56.49 -60.59 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 18' ' ' ARG . 7.1 m-85 -99.26 60.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.19 -55.0 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -41.0 -52.47 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -54.6 -56.38 19.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.634 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 50.0 mmm -45.73 -44.12 13.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.606 1.191 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -35.28 78.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -34.38 67.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 52.7 mt -62.1 -56.89 14.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.6 OUTLIER -46.29 -52.36 12.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.21 -56.01 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.4 mtm -55.73 -33.5 64.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 131.66 -12.65 5.39 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 72.5 m-85 -67.46 73.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 0.74 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' TYR . 31.3 m -65.74 -40.19 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.454 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 66.4 m-20 -40.98 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.634 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 47.4 t80 -81.83 -62.28 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.482 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 5.9 m-20 -45.82 -26.18 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 109.232 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 34' ' ' TYR . . . -84.46 -66.13 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 96.2 m-20 -41.9 -53.95 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.31 -68.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 40.8 mm-40 -38.93 -35.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.68 -54.08 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' THR . 33.3 mt -48.94 -57.6 6.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.413 ' CD1' HD23 ' A' ' 38' ' ' LEU . 79.2 mt -49.66 -41.86 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.82 69.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' LEU . 55.2 p -109.69 21.3 17.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' LEU . 11.6 m-20 40.47 38.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.89 86.85 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 2.9 t70 -154.9 116.94 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 p -75.46 -52.21 11.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -47.32 -66.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.12 65.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 47' ' ' ASP . . . -51.72 -57.68 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.5 mt -52.97 -66.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.88 -47.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -62.15 -59.76 4.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.9 mt -46.33 -54.81 8.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.99 -60.12 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' CA ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -46.43 -38.67 9.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.26 -35.5 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.246 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' PRO . 27.4 ttm180 -72.75 -53.22 12.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CE1' ' HA3' ' A' ' 46' ' ' GLY . 14.7 m-85 -95.57 25.51 4.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.432 ' CA ' ' O ' ' A' ' 16' ' ' GLU . 1.1 p -56.1 -50.46 70.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -34.48 13.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.0 -51.17 14.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.563 ' HE2' ' CD1' ' A' ' 34' ' ' TYR . 75.5 mmm -47.18 -42.14 19.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -41.85 86.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -52.36 60.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mt -47.98 -60.1 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' NE2' HG12 ' A' ' 32' ' ' VAL . 1.6 mm-40 -45.28 -45.87 12.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.89 -50.57 34.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.8 mtt -59.64 -28.92 67.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 32' ' ' VAL . . . 128.26 -14.95 6.16 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -65.69 73.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' TYR . 35.1 m -69.36 -20.28 24.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.438 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 1.7 m-20 -56.55 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CD1' ' HE2' ' A' ' 23' ' ' MET . 88.7 t80 -66.68 -65.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' TYR . 6.2 t-20 -40.52 -42.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.438 ' CB ' ' HB3' ' A' ' 33' ' ' ASN . . . -64.85 -63.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -47.13 -58.58 3.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.3 -60.84 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' ALA . 52.5 mm-40 -55.2 -62.79 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' GLN . . . -40.37 -57.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' ASP . 18.3 mt -45.79 -63.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.2 mt -50.0 -42.17 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.37 -27.61 69.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' LEU . 60.3 p -108.15 14.27 25.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' LEU . 20.3 t0 48.17 59.06 4.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.534 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 60.85 77.72 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.455 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -145.35 121.56 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -76.81 -47.03 22.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.44 -64.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.59 -48.7 66.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 47' ' ' ASP . . . -50.88 -57.67 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.0 mt -52.75 -64.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.42 -49.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -61.28 -56.9 15.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.9 mt -49.07 -59.98 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -47.0 -56.75 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.959 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.842 0 N-CA-C 110.938 -0.447 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.489 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -43.02 -42.72 3.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.59 -42.17 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -63.92 -48.33 77.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 20.3 m-85 -103.74 35.18 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' GLU . 11.4 p -67.41 -45.34 76.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -54.0 -27.95 34.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.65 -50.65 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.37 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.608 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 55.8 mmm -50.24 -36.09 29.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 111.024 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -51.56 51.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.217 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -51.36 69.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 108.268 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -46.44 -53.53 10.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.359 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.49 -55.85 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.246 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.35 -53.28 5.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.2 mtt -55.49 -34.12 64.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 132.15 -12.06 5.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -68.96 72.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 21.8 m -66.93 -36.95 78.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.01 97.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.608 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 82.4 t80 -78.76 -63.51 1.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.61 -37.03 5.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.06 -63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -43.66 -55.77 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -43.81 -66.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -45.92 -66.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.78 -56.23 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' ASP . 7.3 mt -46.14 -62.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.435 ' CD1' HD21 ' A' ' 38' ' ' LEU . 16.4 mt -50.47 -41.54 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.38 -25.5 67.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' LEU . 74.4 p -110.67 8.58 22.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.4 m-20 46.91 74.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.482 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 48.85 76.58 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.063 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.55 101.32 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.4 p -62.65 -64.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -41.05 -59.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.82 -49.74 74.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.82 -54.0 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -54.31 -64.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -38.02 -48.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -64.77 -60.46 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mt -46.28 -39.94 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -56.16 25.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.944 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.497 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -43.69 -40.0 3.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.51 -42.33 95.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . 7.2 ttm180 -70.17 -41.89 73.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.234 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CD1' ' HA3' ' A' ' 46' ' ' GLY . 18.0 m-85 -106.02 36.56 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.2 p -71.09 -56.38 6.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -42.48 -30.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 20' ' ' SER . 22.3 mp0 -79.19 -55.55 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.669 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 55.6 mmm -47.17 -37.54 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.36 -47.97 74.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -50.83 67.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.11 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -46.99 -50.17 19.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -54.44 -54.67 37.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.8 -49.19 10.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -33.72 69.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 134.02 -15.57 4.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -66.26 73.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 0.802 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' TYR . 35.1 m -71.09 -24.62 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.59 89.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.669 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 82.0 t80 -67.52 -64.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -41.04 -53.51 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -44.04 -58.29 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -40.63 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -47.0 -65.33 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.44 -62.01 0.94 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' ASP . 22.1 mt -40.56 -61.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.2 mt -49.62 -44.08 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.06 -26.47 68.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' LEU . 52.3 p -109.08 16.48 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' LEU . 13.7 m-20 42.81 51.94 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 19' ' ' PHE . . . 66.9 86.61 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.56 94.03 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 0.795 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.3 p -46.61 -63.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -40.55 -67.04 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.44 -57.02 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.62 -56.51 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 53' ' ' TYR . 3.9 mt -55.34 -63.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -37.37 -45.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -67.35 -60.64 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.0 mt -45.43 -60.69 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -61.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.94 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 110.919 -0.454 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.494 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -40.55 -43.63 1.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.17 -45.59 93.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' PRO . 37.9 ttt180 -65.14 -42.03 94.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 18.6 m-85 -107.2 41.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' ' 22' ' ' GLU . 1.8 p -75.79 -55.53 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -43.85 -27.64 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 20' ' ' SER . 2.5 mp0 -81.65 -54.62 5.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.637 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.2 mmm -46.94 -36.89 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -43.21 88.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -47.15 73.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 108.345 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.5 mt -50.83 -51.32 52.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -51.87 -55.22 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.97 -52.29 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.39 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -34.56 65.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 133.1 -13.47 4.96 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 61.1 m-85 -68.16 73.26 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 25.4 m -67.76 -35.73 73.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 2.3 t-20 -43.84 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.637 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 86.5 t80 -75.14 -65.65 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.9 -49.64 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.8 -66.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 89.7 m-20 -40.63 -58.77 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.569 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -40.37 -66.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -39.7 -55.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.58 -57.05 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' ASP . 20.0 mt -44.16 -58.19 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 84.2 mt -57.46 -33.81 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.41 -26.05 67.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.1 p -114.19 11.23 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.442 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER 46.83 54.94 8.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.559 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 73.5 76.43 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.5 99.24 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.9 p -60.19 -62.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.459 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -41.32 -66.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.177 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.85 -52.6 39.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.93 -55.08 8.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' TYR . 3.5 mt -54.4 -63.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -37.61 -48.66 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -61.05 -62.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.9 mt -44.91 -63.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.44 -61.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.946 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' SER . 11.2 tm-20 -40.91 -50.16 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.75 -42.93 82.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 14.0 ttt-85 -55.04 -60.97 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 16.8 m-85 -101.07 38.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 5.8 p -68.16 -52.34 35.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.55 -26.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -82.97 -48.79 10.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.648 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.2 mmm -54.33 -32.5 56.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.51 -37.48 68.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -54.39 13.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 mt -44.53 -48.54 10.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -56.02 -54.25 47.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.95 -46.36 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.401 ' HE2' ' CD1' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -62.4 -30.8 71.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.975 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 128.76 -13.24 6.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -69.51 74.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.784 . . . . 0.0 111.033 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' TYR . 19.7 m -69.55 -21.46 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.7 t-20 -54.64 90.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.648 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 85.2 t80 -73.98 -67.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -40.45 -38.08 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.36 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.06 -63.34 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 89.4 m-20 -43.1 -53.47 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 42' ' ' ILE . 0.4 OUTLIER -48.79 -63.77 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -46.58 -55.37 7.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.88 -55.24 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 mt -48.47 -61.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.416 ' CD1' HD21 ' A' ' 38' ' ' LEU . 69.7 mt -52.86 -35.84 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.24 -24.39 63.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.1 p -110.88 15.86 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 47.7 37.72 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.404 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 76.98 90.41 0.27 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -159.46 82.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.776 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 p -41.23 -41.33 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -53.45 -65.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.71 -44.65 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.76 -56.25 19.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.401 ' CD1' ' HE2' ' A' ' 29' ' ' MET . 9.1 mt -52.1 -58.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -46.93 -53.62 11.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -57.58 -60.64 3.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.2 mt -42.81 -60.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -43.3 -62.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.067 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.427 ' CB ' HD12 ' A' ' 42' ' ' ILE . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.945 -0.444 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.488 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -43.48 -40.21 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.18 -44.01 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.2 ttt180 -69.05 -43.21 75.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -109.48 48.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -47.81 9.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -49.62 -29.48 7.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -79.39 -54.08 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.652 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.3 mmm -47.32 -32.52 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -47.69 57.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -39.55 93.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 108.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.6 -62.17 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -44.11 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.55 -52.14 60.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.5 mtm -55.0 -34.75 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 111.06 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.6 -10.27 4.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.086 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -69.18 76.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 0.802 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' TYR . 28.2 m -75.65 -17.98 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.429 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 3.0 m120 -60.58 84.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.652 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 63.9 t80 -65.25 -63.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -41.71 -49.68 4.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ASN . . . -63.73 -66.02 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 94.1 m-20 -40.6 -56.39 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -40.31 -67.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -43.48 -53.72 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -48.47 -62.47 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 44' ' ' THR . 40.8 mt -41.58 -62.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.427 HD12 ' CB ' ' A' ' 15' ' ' PRO . 88.7 mt -49.58 -39.0 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -62.19 -31.3 71.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 109.275 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LEU . 25.6 p -109.95 19.29 19.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 41.49 29.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 44' ' ' THR . . . 95.11 92.72 1.71 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -161.13 85.67 0.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 p -46.25 -47.53 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -50.54 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.12 78.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.61 -55.89 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.5 mt -54.12 -56.35 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -48.33 -51.73 24.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -60.35 -61.66 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.3 mt -44.6 -57.45 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -45.68 -60.49 2.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.931 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.476 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -46.54 -34.96 5.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.3 t -73.31 -36.44 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' PRO . 27.2 ttt180 -75.3 -42.24 55.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.672 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 17.4 m-85 -105.39 31.22 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.64 -49.48 66.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -52.25 -28.62 19.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -80.27 -50.55 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.635 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.8 mmm -46.69 -36.29 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.3 -51.78 16.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -33.52 62.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 108.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.29 -51.63 50.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 32' ' ' VAL . 2.9 mm-40 -46.63 -50.13 18.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.48 -54.12 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -33.48 63.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.11 -11.45 5.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -68.92 75.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' TYR . 27.8 m -72.57 -29.8 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -48.36 95.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 76.3 t80 -71.77 -64.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' TYR . 5.9 m-20 -39.87 -57.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.66 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -44.06 -60.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.47 -59.01 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -55.07 -54.78 38.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -50.02 -55.73 13.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.0 mt -45.8 -55.65 6.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.403 ' CD1' ' CB ' ' A' ' 15' ' ' PRO . 48.6 mt -59.04 -27.72 36.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -74.08 -22.37 59.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -116.03 11.63 15.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t0 48.8 58.55 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.672 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 65.79 75.38 0.42 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.0 121.61 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.1 p -77.33 -59.42 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -42.24 -64.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.71 -54.72 13.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.62 -57.61 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mt -49.22 -64.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -40.78 -53.89 2.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -58.22 -64.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.6 mt -41.37 -62.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.7 -61.51 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.931 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 111.051 -0.403 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' SER . 14.5 tm-20 -41.02 -56.17 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -55.29 -38.69 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -63.77 -55.53 22.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -111.84 54.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.4 p -88.6 -52.97 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -45.87 -28.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.24 -54.42 5.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.682 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 46.8 mmm -47.38 -28.33 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.27 -38.89 41.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -43.37 82.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' GLN . 21.7 mt -56.48 -62.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -38.74 -48.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.48 -54.6 13.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 38.4 mtm -54.89 -30.82 59.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.76 -11.27 5.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 39.2 m-85 -69.02 78.67 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' TYR . 21.6 m -73.68 -27.73 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 85.7 m-20 -50.9 93.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.682 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 78.2 t80 -74.77 -65.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -42.7 -28.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.251 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' TYR . . . -83.53 -66.11 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 31' ' ' PHE . 94.3 m-20 -41.57 -54.01 3.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -68.13 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -40.88 -50.55 3.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.93 -56.28 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ASP . 31.8 mt -44.66 -60.95 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -50.92 -38.21 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.71 -31.64 72.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.3 p -109.74 19.4 19.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.453 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' LEU . 12.1 t0 40.42 50.74 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.76 80.27 0.48 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.56 92.83 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.6 p -48.59 -60.32 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -40.4 -66.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.34 -54.3 14.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.44 -58.0 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.6 mt -52.83 -59.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -45.0 -52.63 8.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -58.85 -62.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' LYS . 20.8 mt -42.67 -63.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' LEU . 6.0 mtmt -40.61 -60.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.939 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.497 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -38.89 -41.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.07 -51.21 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.558 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 9.5 ttt180 -56.01 -57.21 13.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.248 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 11.9 m-85 -97.81 57.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -89.92 -55.57 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.05 -34.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.237 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' CB ' HD21 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -73.8 -59.87 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.666 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 44.7 mmm -42.15 -40.51 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -43.17 94.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -67.16 -46.59 73.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.071 . . . . 0.0 108.285 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.4 mt -50.46 -54.55 21.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.212 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -48.92 -56.75 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.8 -49.77 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -34.62 69.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 135.05 -15.66 4.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -67.16 75.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' TYR . 31.8 m -71.85 -28.01 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.1 m120 -53.37 91.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.666 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 77.6 t80 -71.19 -64.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -42.19 -41.64 2.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.02 -66.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.223 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 94.6 m-20 -40.68 -58.79 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.19 -66.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -44.5 -46.6 9.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.87 -55.82 29.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.4 mt -46.88 -62.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.4 HD12 ' CB ' ' A' ' 15' ' ' PRO . 89.3 mt -48.5 -42.91 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.4 70.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 41' ' ' LEU . 60.9 p -107.29 15.6 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.384 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' LEU . 19.0 t0 40.18 53.77 2.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.497 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 74.51 83.89 0.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -159.92 114.78 2.33 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.5 p -71.37 -60.09 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -41.55 -66.83 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.424 ' HB2' ' CG2' ' A' ' 44' ' ' THR . . . -51.19 -53.26 36.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 47' ' ' ASP . . . -46.57 -54.06 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 mt -55.82 -62.13 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -40.1 -48.87 2.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.06 -59.86 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 mt -47.27 -63.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.46 -61.46 1.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 110.946 -0.444 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.67 -39.37 5.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.2 t -70.23 -38.12 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -66.4 -61.16 2.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.476 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 7.2 m-85 -97.46 57.64 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.0 -54.34 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -45.15 -33.75 2.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -73.71 -57.02 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.624 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 41.2 mmm -44.03 -40.86 5.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -41.32 96.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -35.51 81.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.331 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 65.8 mt -61.16 -63.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -38.97 -52.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.8 -55.98 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.8 mtt -55.3 -33.65 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 130.3 -10.66 5.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.421 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 64.6 m-85 -69.5 74.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.474 0.749 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.7 m -65.87 -39.37 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.449 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.3 m-80 -40.98 97.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.624 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 46.5 t80 -82.23 -61.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.463 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 1.6 t-20 -45.55 -26.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.96 -66.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 96.5 m-20 -41.01 -53.27 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.514 HD13 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -51.29 -62.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 14.9 mm-40 -44.64 -35.94 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.23 -54.55 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.3 mt -46.52 -57.76 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 81.2 mt -51.07 -44.63 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.44 -24.39 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.1 p -110.27 17.86 20.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.438 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t0 41.24 41.91 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.476 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 83.11 91.25 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.155 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -165.83 111.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.366 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 p -69.02 -51.45 38.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -44.75 -65.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.38 -50.01 66.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.28 -54.06 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.0 mt -57.09 -58.79 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -47.53 -45.91 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -63.1 -57.33 10.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.9 mt -48.78 -60.01 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.82 -61.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.461 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -49.54 -24.91 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.12 -34.53 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' PRO . 29.9 ttm180 -81.61 -33.29 31.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -108.43 30.3 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -64.23 -55.45 21.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -36.52 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.61 -59.81 2.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.635 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 55.6 mmm -41.78 -41.74 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -47.25 74.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -46.66 89.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.1 mt -53.82 -48.54 69.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -49.2 68.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.76 -52.0 15.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.0 mtm -56.66 -34.03 66.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.01 -15.61 4.27 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -65.52 78.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.0 m -76.94 -20.05 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 1.2 t-20 -57.67 91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 74.4 t80 -72.71 -61.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -45.75 -35.72 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.63 -64.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 93.4 m-20 -43.67 -53.65 5.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.546 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -45.35 -62.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -49.77 -53.98 21.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.4 -53.53 17.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' ASP . 8.7 mt -49.97 -61.04 2.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.8 mt -51.04 -40.24 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.75 -25.03 67.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' LEU . 67.6 p -110.48 12.29 22.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LEU . 2.4 t70 42.64 36.05 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.92 98.47 0.83 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -174.27 87.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -44.66 -52.33 8.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.373 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -41.1 -66.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.75 -54.84 32.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.23 -46.29 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.378 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.1 mt -63.16 -54.11 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -54.69 -45.94 74.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -65.23 -57.81 7.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 mt -47.89 -57.72 5.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -61.6 1.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -33.24 44.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.3 t -69.2 -19.62 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -96.5 -47.22 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 46' ' ' GLY . 19.9 m-85 -92.86 27.12 2.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -56.24 24.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -46.11 -33.47 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.24 -54.04 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.555 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 62.8 mmm -47.22 -33.29 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -45.48 47.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.592 1.182 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -46.82 88.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.7 mt -52.23 -50.93 61.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.72 -55.49 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.23 -53.17 5.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.604 1.19 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.5 mtm -56.34 -33.52 65.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 130.85 -11.56 5.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -69.93 74.48 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.784 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.2 m -68.23 -36.7 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -41.97 97.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CE2' HD11 ' A' ' 38' ' ' LEU . 74.8 t80 -77.09 -63.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -43.0 -45.36 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.76 -61.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 97.9 m-20 -46.03 -55.48 6.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.556 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -44.77 -60.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -56.66 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.2 -52.99 8.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 44' ' ' THR . 14.3 mt -50.93 -62.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.408 HD11 ' CB ' ' A' ' 15' ' ' PRO . 67.8 mt -50.2 -43.51 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.88 -25.23 67.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 41' ' ' LEU . 77.0 p -109.18 15.05 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 t0 48.24 38.22 9.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 80.46 91.66 0.47 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -162.9 120.38 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 0.815 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 p -72.17 -49.23 37.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -53.33 -59.05 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.46 -45.62 73.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.85 -60.01 4.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.3 mt -49.22 -50.02 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -53.89 52.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -57.43 -53.67 55.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.6 mt -51.13 -61.51 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.17 -62.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.84 114.06 18.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.044 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 119.82 14.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.42 -151.81 52.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m 62.17 109.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.3 118.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.92 -167.26 19.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 169.57 22.32 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.9 t -101.67 109.79 21.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -69.3 -60.53 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 p -178.68 131.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.2 mt 65.8 85.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -119.84 164.17 16.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.78 155.33 11.46 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.98 -64.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.558 1.82 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -46.35 -32.85 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.07 . . . . 0.0 110.233 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.76 -39.84 86.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' PRO . 3.6 ttt180 -71.71 -47.22 55.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -102.1 34.21 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -66.86 -58.75 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -30.55 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 20' ' ' SER . 1.7 mp0 -79.21 -54.68 5.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.611 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 58.9 mmm -46.64 -32.32 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.25 -42.6 54.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -41.23 96.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.5 mt -57.36 -54.48 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -47.52 -52.55 17.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.249 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.63 -48.69 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -32.35 72.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.373 1.046 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 129.29 -12.53 6.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -69.34 75.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.9 m -69.94 -31.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -44.35 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.611 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 91.1 t80 -79.0 -63.67 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -46.03 -27.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.41 -64.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -45.47 -53.22 9.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.49 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -44.12 -65.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -51.87 -50.58 60.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.93 -47.06 61.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mt -56.35 -57.12 13.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.2 mt -55.76 -27.35 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.37 -23.23 54.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' A' ' 47' ' ' ASP . 64.2 p -112.15 11.16 20.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 44.89 49.62 9.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.57 77.61 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -151.17 108.26 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.8 p -66.43 -59.3 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -41.09 -66.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.32 -53.52 49.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 47' ' ' ASP . . . -43.87 -48.27 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 mt -64.48 -58.14 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -44.02 -44.19 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -67.64 -61.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mt -43.74 -61.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.99 -58.38 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.27 -56.37 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.61 126.69 14.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.949 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -120.32 79.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.64 1.212 . . . . 0.0 110.257 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.99 75.92 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 51.56 98.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t -148.53 -58.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.948 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.01 96.91 0.11 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 107.16 2.42 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -136.43 110.72 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.968 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -134.69 168.21 19.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.964 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.62 98.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.035 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.09 96.13 9.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.92 115.69 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -108.4 88.89 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -80.15 103.0 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.38 -85.51 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.417 1.746 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 m -53.9 152.74 5.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -83.45 154.85 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.637 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.2 t -120.44 87.26 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 tt -154.88 83.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -111.74 151.44 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' ' 17' ' ' VAL . . . -51.24 154.59 2.77 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.99 -63.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.479 1.779 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -46.74 -43.33 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.244 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 14' ' ' ALA . 85.1 t -56.76 -36.91 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' PRO . 2.7 ttt180 -70.28 -58.43 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.233 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.462 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 11.4 m-85 -96.68 41.53 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -73.63 -52.05 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -25.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' CB ' HD21 ' A' ' 41' ' ' LEU . 4.4 mp0 -84.73 -54.57 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.304 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.64 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 58.0 mmm -45.56 -30.0 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.86 -43.74 24.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -40.52 93.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.302 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 29' ' ' MET . 5.1 mt -61.21 -59.54 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' NE2' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -40.07 -45.79 2.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 110.319 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.7 -49.86 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' LEU . 21.1 mtm -58.07 -34.04 69.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.28 -12.76 4.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.432 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 47.0 m-85 -68.78 79.19 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.405 HG12 ' NE2' ' A' ' 27' ' ' GLN . 16.0 m -76.07 -18.49 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -58.38 92.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.64 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 85.7 t80 -72.1 -62.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -46.06 -38.46 7.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.34 -63.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 31' ' ' PHE . 94.6 m-20 -44.61 -55.19 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -44.72 -60.66 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -49.61 -52.41 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.03 -54.6 28.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 44' ' ' THR . 16.2 mt -47.16 -62.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.7 mt -49.86 -37.85 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.02 -32.27 70.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' LEU . 24.2 p -109.44 17.62 21.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 t70 42.02 47.94 3.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.462 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 78.69 80.2 0.75 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.24 100.39 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.757 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.8 p -56.72 -59.85 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.495 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -42.55 -65.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.01 -53.19 35.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.381 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.84 -55.09 8.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 53' ' ' TYR . 4.0 mt -54.76 -65.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -37.76 -46.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -63.94 -63.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.8 mt -43.54 -61.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.35 -61.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.219 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.94 -58.03 1.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.147 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.27 155.19 29.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 154.93 16.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.78 116.32 0.89 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.458 1.099 . . . . 0.0 111.06 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -68.35 97.52 0.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 0.819 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.15 136.82 7.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.41 157.27 3.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 120.33 6.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.073 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.75 92.15 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.926 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.8 m -108.37 135.25 49.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.614 1.196 . . . . 0.0 110.968 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -130.18 85.8 2.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 0.812 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.24 81.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.65 130.76 2.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -87.21 91.09 8.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 0.806 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -61.4 -59.06 5.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.09 97.16 2.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.412 1.07 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.43 42.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.541 1.811 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 m 63.54 121.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -48.3 148.09 2.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.16 88.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.11 100.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -134.41 159.82 39.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.83 154.56 1.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.98 -65.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -44.05 -43.18 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.69 -42.91 96.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' PRO . 11.3 ttm-85 -64.58 -54.71 27.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' HA3' ' A' ' 46' ' ' GLY . 15.0 m-85 -96.81 34.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' GLU . 7.1 p -69.14 -43.73 73.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.926 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -27.53 41.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.93 -52.34 6.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.609 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 56.8 mmm -45.41 -31.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.88 -48.54 20.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -41.38 77.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 108.278 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mt -58.42 -60.48 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -50.01 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.91 -52.6 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.1 mtm -57.11 -31.3 65.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 127.84 -10.62 6.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -70.47 75.17 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.9 m -69.06 -29.33 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 2.2 t-20 -47.16 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.609 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 84.6 t80 -76.3 -65.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.07 -42.29 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HB1' ' ND2' ' A' ' 33' ' ' ASN . . . -68.52 -66.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 96.6 m-20 -43.02 -51.38 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.554 HD13 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -46.44 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -48.98 -54.87 13.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 44' ' ' THR . . . -46.13 -55.76 6.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 45' ' ' ASP . 23.4 mt -46.88 -54.5 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.4 mt -57.87 -40.99 78.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.37 -23.6 65.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 58.9 p -111.83 18.5 18.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.7 t0 41.13 68.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.487 ' HA3' ' CD1' ' A' ' 19' ' ' PHE . . . 47.49 80.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -156.11 106.07 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.4 p -61.27 -51.36 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -43.36 -62.77 0.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.449 ' HB2' ' CG2' ' A' ' 44' ' ' THR . . . -55.34 -50.6 69.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.05 -52.11 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.1 mt -56.23 -63.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -42.25 -47.97 4.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -62.63 -61.83 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.7 mt -44.4 -62.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.77 -62.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.12 -57.69 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.18 -61.17 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -154.23 130.07 10.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.354 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.7 142.74 5.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 47.58 97.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.753 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 m -133.56 97.89 4.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.63 157.7 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.45 7.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.409 1.741 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -104.89 -60.17 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.2 98.3 6.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.954 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -122.63 93.7 4.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.84 104.16 11.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.964 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.66 -179.56 15.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.59 151.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -166.5 127.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.05 80.4 1.46 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 107.06 2.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.35 88.04 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.9 -59.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.562 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.3 p -102.23 169.82 8.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.87 167.33 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -168.74 161.0 10.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.18 154.18 0.81 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.0 Cg_endo -75.1 -64.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -46.29 -37.89 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.88 -38.32 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.8 tmt_? -75.0 -55.7 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -90.72 30.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' N ' ' A' ' 22' ' ' GLU . 1.3 p -65.26 -56.39 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -29.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 20' ' ' SER . 2.2 mp0 -80.44 -52.67 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.592 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 64.4 mmm -45.99 -36.53 5.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -49.56 44.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -52.91 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 108.24 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mt -45.63 -50.69 13.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -53.0 -55.93 19.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.23 -52.36 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.4 mtm -55.99 -34.47 65.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 133.35 -13.34 4.9 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -68.33 75.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' TYR . 23.6 m -71.49 -15.54 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 37' ' ' ASN . 14.5 p-10 -60.06 84.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.592 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 87.0 t80 -67.16 -69.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -41.9 -47.83 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.38 -59.26 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 74.1 m-20 -44.57 -53.14 7.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -45.48 -69.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -44.55 -56.66 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.9 -54.93 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.6 mt -48.22 -60.06 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.3 mt -51.82 -43.34 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -22.36 64.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.462 ' CG2' ' HB1' ' A' ' 50' ' ' ALA . 52.1 p -117.47 17.18 14.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' LEU . 11.0 t0 40.57 52.19 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.74 89.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -160.27 83.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 67.9 p -38.69 -58.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -41.9 -65.58 0.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.462 ' HB1' ' CG2' ' A' ' 44' ' ' THR . . . -52.68 -54.35 34.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.52 -52.0 10.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.418 1.074 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mt -61.79 -56.93 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -46.73 -47.93 20.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -63.05 -63.42 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.401 HD22 ' ND2' ' A' ' 33' ' ' ASN . 38.7 mt -41.96 -61.34 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.65 -62.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.44 -58.06 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.8 p -67.34 167.5 12.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.465 1.103 . . . . 0.0 110.078 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -110.22 169.03 9.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.56 128.11 1.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -78.34 151.64 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 0.704 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 p -142.64 167.46 22.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.82 -157.77 33.62 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 88.63 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.4 p -168.13 128.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.942 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -50.0 102.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p 60.4 85.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.09 -58.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.944 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.9 -101.29 0.21 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 111.093 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 74.58 -57.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.07 117.85 35.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.95 157.26 27.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.118 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.62 42.13 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -85.36 98.79 10.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 64.62 95.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.2 p -136.51 172.07 13.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.04 -107.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 66.06 158.75 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 154.05 11.44 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.94 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -47.42 -39.29 15.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.1 -34.76 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -75.54 -54.39 7.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 110.374 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -90.42 25.07 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 111.068 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -58.02 -54.11 50.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.932 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -45.34 -37.93 5.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -71.59 -55.12 8.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.558 ' HE1' ' CE1' ' A' ' 34' ' ' TYR . 49.9 mmm -43.71 -34.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -52.65 10.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -39.22 71.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.6 mt -56.91 -55.34 35.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -48.56 -53.27 18.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.89 -48.15 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.7 mtm -61.98 -28.57 69.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 126.21 -12.56 7.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -68.19 71.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 26.4 m -64.23 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.42 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 8.7 m120 -43.93 96.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CE1' ' HE1' ' A' ' 23' ' ' MET . 43.8 t80 -81.07 -62.49 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -44.32 -30.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.292 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.76 -57.48 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 90.3 m-20 -44.25 -53.33 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -48.1 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -43.96 -53.42 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.237 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.15 -52.58 58.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' ASP . 16.0 mt -50.27 -57.11 8.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.25 -35.81 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.6 -23.06 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.3 p -112.0 16.84 20.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.6 t70 42.26 32.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.09 98.5 0.54 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.53 1.144 . . . . 0.0 111.054 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -171.44 85.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -38.83 -52.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.18 -64.49 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.88 -50.57 66.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.69 -54.16 15.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 mt -54.07 -60.64 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -44.61 -51.27 9.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -58.44 -57.76 11.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.1 mt -50.32 -62.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.28 -61.91 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.6 m -44.31 -60.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 109.979 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.6 p -101.37 86.86 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -60.2 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.8 -116.52 4.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.44 142.71 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.5 p -137.42 123.52 20.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.57 -160.58 3.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 146.68 32.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.5 m -159.03 130.4 6.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.95 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.8 p -44.27 161.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.911 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.3 -58.56 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -121.13 159.98 24.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.07 78.24 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.562 1.163 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 p -168.67 127.41 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -142.93 123.33 13.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.13 -165.52 12.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 99.73 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.88 -57.2 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.004 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -98.9 -60.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.4 p -56.81 169.89 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt 56.65 175.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -82.65 154.82 24.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.31 154.82 0.38 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.457 ' CB ' HD12 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.94 -64.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.545 1.813 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -44.66 -36.69 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.168 . . . . 0.0 110.327 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.5 t -71.7 -40.82 70.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 14.6 ttt180 -63.68 -50.16 70.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 13.8 m-85 -105.08 45.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -77.54 -43.71 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.076 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -49.44 -32.16 11.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' CYS . 11.7 mp0 -79.21 -61.18 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.63 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 49.7 mmm -38.29 -36.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 111.059 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -48.95 53.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -61.64 -39.43 91.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 108.342 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 mt -56.52 -56.13 25.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -47.52 -55.19 9.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.98 -52.88 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.5 mtm -56.98 -33.73 67.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 131.65 -12.47 5.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -68.83 75.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 22.4 m -68.89 -38.52 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.449 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 2.2 m-20 -40.78 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.63 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 87.9 t80 -78.4 -65.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -43.63 -35.6 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 33' ' ' ASN . . . -73.55 -66.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 96.5 m-20 -43.24 -54.23 4.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -43.6 -62.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -49.17 -59.34 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.27 -52.21 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.374 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ASP . 44.4 mt -51.17 -65.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.457 HD12 ' CB ' ' A' ' 15' ' ' PRO . 55.7 mt -47.1 -44.45 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.93 69.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' LEU . 51.3 p -106.02 17.46 23.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.357 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 21.9 m-20 41.19 47.2 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.02 87.5 0.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -157.15 85.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -47.28 -48.41 24.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -49.14 -66.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.444 1.09 . . . . 0.0 109.22 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.75 -49.97 69.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.95 -50.98 25.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.1 mt -57.74 -64.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -41.47 -48.22 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -60.22 -59.95 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.3 mt -45.8 -61.9 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.224 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.55 -61.98 0.96 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.226 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.0 m -40.5 -60.3 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -108.0 96.5 6.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -137.33 96.07 3.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.88 91.58 1.0 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.55 106.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.8 p -93.62 162.64 13.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.04 97.68 2.5 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.474 1.108 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.96 11.9 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 t 46.31 81.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.0 t -139.07 -57.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.042 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t 55.24 83.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.043 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -169.04 166.17 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.955 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.53 -129.54 1.13 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 p -176.89 153.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 0.796 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.92 101.06 2.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.24 157.68 15.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 78.85 2.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -97.61 -57.97 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.021 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 44.11 80.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.6 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.7 t 39.91 89.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 59.85 -107.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -111.19 148.2 33.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.416 1.072 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.93 150.79 5.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo -74.98 -58.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -49.51 -37.41 26.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.147 . . . . 0.0 110.259 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.3 t -73.93 -26.13 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -77.9 -40.01 41.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -112.16 23.04 14.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -57.49 -47.74 81.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -30.52 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.44 ' CB ' HD22 ' A' ' 41' ' ' LEU . 2.0 mp0 -87.98 -30.15 20.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.596 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 59.3 mmm -66.71 -32.24 73.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -45.81 28.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -40.48 88.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.265 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.51 -52.3 65.95 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -49.78 -53.51 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.77 -51.45 12.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 56.6 mtm -58.44 -29.42 66.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 126.1 -11.13 7.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.56 74.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.413 0.714 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' TYR . 17.3 m -67.64 -31.77 53.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 9.5 t-20 -45.94 96.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.596 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 91.8 t80 -77.91 -64.96 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -43.73 -36.32 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.414 ' CB ' ' CG ' ' A' ' 33' ' ' ASN . . . -73.62 -62.96 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.374 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 95.7 m-20 -44.86 -47.58 11.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -51.93 -65.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -48.7 -55.91 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.96 -54.81 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.384 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.44 HD22 ' CB ' ' A' ' 22' ' ' GLU . 29.1 mt -51.49 -57.67 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.412 HD12 ' CB ' ' A' ' 15' ' ' PRO . 54.4 mt -53.56 -33.39 22.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.369 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.13 -24.13 59.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.1 p -109.49 16.82 21.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 45.98 30.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.95 96.32 0.7 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -170.6 90.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 74.3 p -39.78 -56.22 1.79 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -40.88 -65.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.01 26.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.53 -55.69 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 mt -55.23 -57.44 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.04 -51.49 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -61.0 -61.96 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mt -42.79 -56.53 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.44 -62.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.194 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t -43.75 -58.86 2.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.984 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.86 115.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.57 79.11 9.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.34 -108.78 3.34 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -153.86 113.57 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 0.788 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 t -158.5 147.23 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.77 96.15 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 163.81 34.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.453 1.765 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.8 p -46.07 130.09 9.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.4 t -101.05 112.54 25.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -158.64 152.17 23.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -139.38 159.82 41.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.77 -158.02 8.58 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.86 170.04 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.74 . . . . 0.0 109.935 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -111.32 -58.2 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.15 96.45 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 170.58 20.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.5 159.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.16 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -151.53 88.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.592 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.8 171.01 7.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mt -90.0 102.72 15.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -139.93 158.91 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.39 153.85 1.7 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.5 Cg_endo -74.98 -68.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.761 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.33 -42.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.12 -46.44 87.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 19' ' ' PHE . 24.0 ttt180 -56.49 -60.59 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 18' ' ' ARG . 7.1 m-85 -99.26 60.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.19 -55.0 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -41.0 -52.47 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -54.6 -56.38 19.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.634 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 50.0 mmm -45.73 -44.12 13.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.606 1.191 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -35.28 78.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -34.38 67.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 52.7 mt -62.1 -56.89 14.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.6 OUTLIER -46.29 -52.36 12.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.21 -56.01 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.4 mtm -55.73 -33.5 64.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 131.66 -12.65 5.39 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 72.5 m-85 -67.46 73.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 0.74 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' TYR . 31.3 m -65.74 -40.19 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.454 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 66.4 m-20 -40.98 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.634 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 47.4 t80 -81.83 -62.28 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.482 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 5.9 m-20 -45.82 -26.18 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 109.232 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 34' ' ' TYR . . . -84.46 -66.13 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' HB3' ' CD1' ' A' ' 26' ' ' LEU . 96.2 m-20 -41.9 -53.95 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.31 -68.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 40.8 mm-40 -38.93 -35.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.68 -54.08 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' THR . 33.3 mt -48.94 -57.6 6.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.413 ' CD1' HD23 ' A' ' 38' ' ' LEU . 79.2 mt -49.66 -41.86 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.82 69.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' LEU . 55.2 p -109.69 21.3 17.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' LEU . 11.6 m-20 40.47 38.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.89 86.85 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 2.9 t70 -154.9 116.94 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.3 p -75.46 -52.21 11.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 110.438 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -47.32 -66.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.12 65.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 47' ' ' ASP . . . -51.72 -57.68 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.5 mt -52.97 -66.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.88 -47.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -62.15 -59.76 4.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.9 mt -46.33 -54.81 8.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.99 -60.12 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m -46.35 -58.06 4.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.32 109.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.378 1.049 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -152.72 99.2 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.54 -73.96 0.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.52 109.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.0 m -149.71 158.24 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.44 157.57 8.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 62.73 5.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.7 p -152.31 129.16 10.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -81.28 137.52 35.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -62.54 168.33 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 t -115.87 -59.26 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.85 65.91 0.05 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.59 111.32 0.47 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.783 . . . . 0.0 109.943 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 p -169.7 -56.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.054 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.91 -145.79 4.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.4 14.58 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.463 1.77 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -39.61 148.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.033 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.4 73.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.623 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.92 153.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt 59.32 91.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -78.14 160.49 27.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.82 154.66 4.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.99 -65.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' O ' ' CA ' ' A' ' 20' ' ' SER . 0.4 OUTLIER -46.43 -38.67 9.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.26 -35.5 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.246 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' PRO . 27.4 ttm180 -72.75 -53.22 12.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CE1' ' HA3' ' A' ' 46' ' ' GLY . 14.7 m-85 -95.57 25.51 4.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.432 ' CA ' ' O ' ' A' ' 16' ' ' GLU . 1.1 p -56.1 -50.46 70.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -34.48 13.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.0 -51.17 14.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.563 ' HE2' ' CD1' ' A' ' 34' ' ' TYR . 75.5 mmm -47.18 -42.14 19.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -41.85 86.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -52.36 60.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mt -47.98 -60.1 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' NE2' HG12 ' A' ' 32' ' ' VAL . 1.6 mm-40 -45.28 -45.87 12.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.89 -50.57 34.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.8 mtt -59.64 -28.92 67.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 32' ' ' VAL . . . 128.26 -14.95 6.16 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -65.69 73.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' TYR . 35.1 m -69.36 -20.28 24.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.438 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 1.7 m-20 -56.55 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CD1' ' HE2' ' A' ' 23' ' ' MET . 88.7 t80 -66.68 -65.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' TYR . 6.2 t-20 -40.52 -42.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.438 ' CB ' ' HB3' ' A' ' 33' ' ' ASN . . . -64.85 -63.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -47.13 -58.58 3.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.3 -60.84 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' ALA . 52.5 mm-40 -55.2 -62.79 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' GLN . . . -40.37 -57.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' ASP . 18.3 mt -45.79 -63.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 44.2 mt -50.0 -42.17 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.37 -27.61 69.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 41' ' ' LEU . 60.3 p -108.15 14.27 25.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' LEU . 20.3 t0 48.17 59.06 4.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.534 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 60.85 77.72 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.455 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -145.35 121.56 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -76.81 -47.03 22.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.44 -64.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.59 -48.7 66.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 47' ' ' ASP . . . -50.88 -57.67 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.0 mt -52.75 -64.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.42 -49.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -61.28 -56.9 15.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 53.9 mt -49.07 -59.98 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -47.0 -56.75 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.57 -52.77 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.959 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.2 t -109.98 92.31 4.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.078 . . . . 0.0 109.953 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -60.8 -55.34 34.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.55 -123.65 7.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 56.65 100.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.79 95.4 8.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.81 70.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 66' ' ' SER . 18.5 Cg_endo -74.95 60.13 5.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.478 1.778 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m 69.36 -64.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' PRO . 1.6 m -167.28 97.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t 45.42 93.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.942 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -175.72 -58.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.11 60.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 111.057 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.14 -58.95 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 0.811 . . . . 0.0 110.016 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.17 153.43 27.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.999 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.38 -160.96 27.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.28 40.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 p -75.56 101.33 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -172.26 125.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t -128.13 138.1 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.91 156.02 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -130.29 154.25 47.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.55 154.26 0.91 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.1 Cg_endo -75.11 -66.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.461 1.769 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -43.02 -42.72 3.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.59 -42.17 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -63.92 -48.33 77.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 20.3 m-85 -103.74 35.18 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' GLU . 11.4 p -67.41 -45.34 76.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -54.0 -27.95 34.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.65 -50.65 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.37 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.608 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 55.8 mmm -50.24 -36.09 29.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 111.024 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -51.56 51.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.217 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -51.36 69.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 108.268 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -46.44 -53.53 10.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.359 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.49 -55.85 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.246 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.35 -53.28 5.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.2 mtt -55.49 -34.12 64.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 132.15 -12.06 5.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -68.96 72.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 21.8 m -66.93 -36.95 78.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.01 97.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.608 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 82.4 t80 -78.76 -63.51 1.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.61 -37.03 5.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.06 -63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -43.66 -55.77 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -43.81 -66.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -45.92 -66.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.78 -56.23 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' ASP . 7.3 mt -46.14 -62.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.435 ' CD1' HD21 ' A' ' 38' ' ' LEU . 16.4 mt -50.47 -41.54 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.38 -25.5 67.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' LEU . 74.4 p -110.67 8.58 22.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.4 m-20 46.91 74.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.482 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 48.85 76.58 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.063 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.55 101.32 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.4 p -62.65 -64.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -41.05 -59.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.82 -49.74 74.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.82 -54.0 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -54.31 -64.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -38.02 -48.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -64.77 -60.46 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mt -46.28 -39.94 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -56.16 25.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.6 p -60.72 -54.09 49.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.3 p -77.83 89.5 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -175.76 -58.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.92 91.71 2.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.64 154.28 40.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.783 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.9 m -132.04 155.17 48.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.45 95.64 0.31 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.611 1.194 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -50.58 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.782 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.2 t 63.16 97.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -155.85 125.11 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -163.53 121.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.91 97.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.088 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.46 -147.73 27.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -66.88 -58.43 5.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 110.045 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -159.53 105.27 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 110.006 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.8 160.41 0.29 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 61.74 5.69 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.78 159.91 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.947 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -63.64 -62.29 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.587 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.3 m 43.68 87.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.5 134.79 45.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -160.06 171.74 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.41 154.05 0.53 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.94 -65.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.394 1.734 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.497 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -43.69 -40.0 3.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.51 -42.33 95.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . 7.2 ttm180 -70.17 -41.89 73.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.234 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.406 ' CD1' ' HA3' ' A' ' 46' ' ' GLY . 18.0 m-85 -106.02 36.56 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.2 p -71.09 -56.38 6.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -42.48 -30.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' C ' ' A' ' 20' ' ' SER . 22.3 mp0 -79.19 -55.55 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.669 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 55.6 mmm -47.17 -37.54 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.36 -47.97 74.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -50.83 67.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.11 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -46.99 -50.17 19.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -54.44 -54.67 37.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.8 -49.19 10.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -33.72 69.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 134.02 -15.57 4.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -66.26 73.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 0.802 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' TYR . 35.1 m -71.09 -24.62 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.59 89.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.669 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 82.0 t80 -67.52 -64.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -41.04 -53.51 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -44.04 -58.29 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -40.63 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -47.0 -65.33 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.44 -62.01 0.94 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' ASP . 22.1 mt -40.56 -61.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.2 mt -49.62 -44.08 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.06 -26.47 68.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' LEU . 52.3 p -109.08 16.48 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' LEU . 13.7 m-20 42.81 51.94 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 19' ' ' PHE . . . 66.9 86.61 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.56 94.03 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 0.795 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.3 p -46.61 -63.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -40.55 -67.04 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -47.44 -57.02 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.62 -56.51 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 53' ' ' TYR . 3.9 mt -55.34 -63.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -37.37 -45.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -67.35 -60.64 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.0 mt -45.43 -60.69 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -61.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -58.82 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.94 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.14 167.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.975 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.84 171.11 10.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.65 -117.01 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -63.69 116.1 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.3 m -41.31 127.55 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -40.45 100.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 67.42 5.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.0 m 52.43 88.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.1 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.3 p -44.65 116.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.133 . . . . 0.0 110.954 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.94 96.05 3.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 110.057 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.98 131.78 14.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.94 -114.85 4.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.94 111.77 6.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 0.801 . . . . 0.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -140.78 116.25 10.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.8 -170.65 39.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -38.4 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.435 1.755 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t -66.56 130.14 42.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.7 89.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.29 -57.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.72 76.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -137.31 143.43 42.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.16 152.59 1.02 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo -75.05 -67.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.494 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -40.55 -43.63 1.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.17 -45.59 93.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' PRO . 37.9 ttt180 -65.14 -42.03 94.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 18.6 m-85 -107.2 41.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' ' 22' ' ' GLU . 1.8 p -75.79 -55.53 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -43.85 -27.64 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 20' ' ' SER . 2.5 mp0 -81.65 -54.62 5.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.637 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.2 mmm -46.94 -36.89 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -43.21 88.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -47.15 73.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 108.345 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.5 mt -50.83 -51.32 52.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -51.87 -55.22 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.97 -52.29 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.39 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -34.56 65.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 133.1 -13.47 4.96 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 61.1 m-85 -68.16 73.26 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 25.4 m -67.76 -35.73 73.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 2.3 t-20 -43.84 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.637 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 86.5 t80 -75.14 -65.65 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.9 -49.64 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.8 -66.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 89.7 m-20 -40.63 -58.77 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.569 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -40.37 -66.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -39.7 -55.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.58 -57.05 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' ASP . 20.0 mt -44.16 -58.19 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 84.2 mt -57.46 -33.81 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.41 -26.05 67.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.1 p -114.19 11.23 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.442 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER 46.83 54.94 8.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.559 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 73.5 76.43 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.5 99.24 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.9 p -60.19 -62.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.459 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -41.32 -66.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.177 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.85 -52.6 39.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.93 -55.08 8.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' TYR . 3.5 mt -54.4 -63.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -37.61 -48.66 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -61.05 -62.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.9 mt -44.91 -63.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.44 -61.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.4 t -44.98 -58.2 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.1 m -67.94 103.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.934 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 56.48 92.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.85 -120.57 1.9 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 51.86 95.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t 57.7 101.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.09 -79.05 1.3 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.481 1.113 . . . . 0.0 111.069 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.9 t -96.77 -58.58 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -155.06 143.23 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m 61.07 98.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.602 0.824 . . . . 0.0 110.045 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -114.13 -58.29 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.71 130.49 4.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 p -120.45 159.15 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.21 98.14 8.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.6 -164.37 12.84 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 105.73 2.14 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.596 1.84 . . . . 0.0 111.01 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.87 156.03 42.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -67.66 142.55 56.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.55 -53.52 53.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -27.98 69.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 56.7 162.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.36 154.72 0.79 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.99 -68.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' SER . 11.2 tm-20 -40.91 -50.16 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.75 -42.93 82.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.499 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 14.0 ttt-85 -55.04 -60.97 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 16.8 m-85 -101.07 38.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 5.8 p -68.16 -52.34 35.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.55 -26.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -82.97 -48.79 10.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.648 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.2 mmm -54.33 -32.5 56.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.51 -37.48 68.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -54.39 13.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.0 mt -44.53 -48.54 10.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -56.02 -54.25 47.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.95 -46.36 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.401 ' HE2' ' CD1' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -62.4 -30.8 71.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.975 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 128.76 -13.24 6.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -69.51 74.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.784 . . . . 0.0 111.033 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' TYR . 19.7 m -69.55 -21.46 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.7 t-20 -54.64 90.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.648 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 85.2 t80 -73.98 -67.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -40.45 -38.08 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.36 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.06 -63.34 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 89.4 m-20 -43.1 -53.47 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 42' ' ' ILE . 0.4 OUTLIER -48.79 -63.77 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -46.58 -55.37 7.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.88 -55.24 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 mt -48.47 -61.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.416 ' CD1' HD21 ' A' ' 38' ' ' LEU . 69.7 mt -52.86 -35.84 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.24 -24.39 63.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.1 p -110.88 15.86 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 47.7 37.72 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.404 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 76.98 90.41 0.27 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -159.46 82.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.776 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 p -41.23 -41.33 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -53.45 -65.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.71 -44.65 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.76 -56.25 19.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.401 ' CD1' ' HE2' ' A' ' 29' ' ' MET . 9.1 mt -52.1 -58.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -46.93 -53.62 11.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -57.58 -60.64 3.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.2 mt -42.81 -60.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -43.3 -62.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.82 -58.56 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.067 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 t -45.46 -61.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.947 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -160.17 -59.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.11 153.63 0.03 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -66.55 164.52 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 0.822 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -141.44 90.06 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 158.37 94.8 0.1 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.72 13.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 t -70.79 -59.29 2.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.956 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.89 140.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -56.35 -57.25 13.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 110.012 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.26 127.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.23 -176.33 39.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.076 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -102.26 166.41 10.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 0.796 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -54.08 114.06 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.31 95.87 1.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.54 4.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 111.048 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.33 96.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 109.943 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -106.68 77.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.544 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.98 82.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tt 49.95 89.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -95.5 161.19 14.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.73 154.41 4.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' CB ' HD12 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.03 -66.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -43.48 -40.21 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.18 -44.01 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.2 ttt180 -69.05 -43.21 75.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -109.48 48.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -47.81 9.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -49.62 -29.48 7.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -79.39 -54.08 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.652 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.3 mmm -47.32 -32.52 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -47.69 57.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -39.55 93.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 108.293 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.2 mt -60.6 -62.17 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -44.11 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.55 -52.14 60.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 24.5 mtm -55.0 -34.75 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 111.06 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.6 -10.27 4.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.086 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -69.18 76.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 0.802 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' TYR . 28.2 m -75.65 -17.98 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.429 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 3.0 m120 -60.58 84.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.652 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 63.9 t80 -65.25 -63.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -41.71 -49.68 4.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ASN . . . -63.73 -66.02 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 94.1 m-20 -40.6 -56.39 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -40.31 -67.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -43.48 -53.72 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -48.47 -62.47 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 44' ' ' THR . 40.8 mt -41.58 -62.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.427 HD12 ' CB ' ' A' ' 15' ' ' PRO . 88.7 mt -49.58 -39.0 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -62.19 -31.3 71.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 109.275 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LEU . 25.6 p -109.95 19.29 19.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 41.49 29.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 44' ' ' THR . . . 95.11 92.72 1.71 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -161.13 85.67 0.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.2 p -46.25 -47.53 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -50.54 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.12 78.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.61 -55.89 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.5 mt -54.12 -56.35 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -48.33 -51.73 24.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -60.35 -61.66 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.3 mt -44.6 -57.45 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -45.68 -60.49 2.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.76 -58.54 3.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.931 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 m -56.14 104.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 110.0 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -168.03 84.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.11 151.12 26.39 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.04 172.3 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -47.35 133.59 12.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.974 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -151.64 96.3 0.17 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 111.06 3.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -161.43 94.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 65' ' ' SER . 0.2 OUTLIER 78.87 -58.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -174.94 121.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 0.775 . . . . 0.0 110.014 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -173.16 -58.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.53 135.94 6.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.17 167.17 31.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 0.736 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.4 p -56.95 150.04 17.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.13 91.96 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 111.065 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 143.02 28.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -84.39 -58.09 2.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.037 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -138.95 98.82 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.606 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.58 159.36 43.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.14 154.1 42.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -153.29 149.34 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.72 155.13 0.83 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.45 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.6 Cg_endo -74.93 -66.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.431 1.753 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.476 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -46.54 -34.96 5.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.3 t -73.31 -36.44 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' PRO . 27.2 ttt180 -75.3 -42.24 55.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.672 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 17.4 m-85 -105.39 31.22 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.64 -49.48 66.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -52.25 -28.62 19.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -80.27 -50.55 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.635 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.8 mmm -46.69 -36.29 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.3 -51.78 16.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -33.52 62.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 108.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.29 -51.63 50.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.412 ' NE2' ' HA ' ' A' ' 32' ' ' VAL . 2.9 mm-40 -46.63 -50.13 18.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.48 -54.12 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -33.48 63.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.11 -11.45 5.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -68.92 75.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 34' ' ' TYR . 27.8 m -72.57 -29.8 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -48.36 95.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 76.3 t80 -71.77 -64.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' TYR . 5.9 m-20 -39.87 -57.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.66 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -44.06 -60.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.47 -59.01 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -55.07 -54.78 38.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -50.02 -55.73 13.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.0 mt -45.8 -55.65 6.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.352 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.403 ' CD1' ' CB ' ' A' ' 15' ' ' PRO . 48.6 mt -59.04 -27.72 36.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -74.08 -22.37 59.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -116.03 11.63 15.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t0 48.8 58.55 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.672 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 65.79 75.38 0.42 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.0 121.61 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.1 p -77.33 -59.42 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -42.24 -64.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.71 -54.72 13.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.62 -57.61 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mt -49.22 -64.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -40.78 -53.89 2.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -58.22 -64.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.6 mt -41.37 -62.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.7 -61.51 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.81 -57.7 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.931 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -54.83 123.21 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.961 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -58.16 125.97 25.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.258 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 170.3 101.84 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.9 t80 52.58 100.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -70.63 169.5 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.938 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.84 83.62 0.88 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.37 16.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 0.0 110.959 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' GLY . 8.4 t -146.28 149.98 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t 67.34 -71.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' SER . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -165.36 101.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.84 126.96 21.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.29 -164.12 33.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 p -143.26 100.12 3.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.096 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.69 -53.94 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.85 95.61 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 78.05 3.0 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.567 1.825 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 p -120.95 158.88 26.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.922 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 50.85 91.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.631 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.74 120.48 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.033 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -118.26 79.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -128.38 157.52 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.64 153.07 0.81 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.92 -67.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 111.051 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' SER . 14.5 tm-20 -41.02 -56.17 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -55.29 -38.69 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -63.77 -55.53 22.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -111.84 54.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.4 p -88.6 -52.97 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -45.87 -28.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.24 -54.42 5.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.682 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 46.8 mmm -47.38 -28.33 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.27 -38.89 41.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.07 -43.37 82.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' GLN . 21.7 mt -56.48 -62.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -38.74 -48.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.48 -54.6 13.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 38.4 mtm -54.89 -30.82 59.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.76 -11.27 5.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 39.2 m-85 -69.02 78.67 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' TYR . 21.6 m -73.68 -27.73 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 85.7 m-20 -50.9 93.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.682 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 78.2 t80 -74.77 -65.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -42.7 -28.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.251 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 34' ' ' TYR . . . -83.53 -66.11 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 31' ' ' PHE . 94.3 m-20 -41.57 -54.01 3.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -68.13 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -40.88 -50.55 3.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.93 -56.28 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ASP . 31.8 mt -44.66 -60.95 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -50.92 -38.21 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.71 -31.64 72.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.3 p -109.74 19.4 19.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.453 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' LEU . 12.1 t0 40.42 50.74 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.76 80.27 0.48 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.56 92.83 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 58.6 p -48.59 -60.32 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -40.4 -66.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.34 -54.3 14.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.44 -58.0 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.6 mt -52.83 -59.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -45.0 -52.63 8.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -58.85 -62.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' LYS . 20.8 mt -42.67 -63.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' LEU . 6.0 mtmt -40.61 -60.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.99 -56.99 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.982 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.94 128.72 31.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.22 130.79 46.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 110.5 -174.94 17.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.429 1.081 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.0 t80 46.89 94.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 0.729 . . . . 0.0 110.984 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t 65.31 148.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.44 91.88 1.77 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -41.01 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.0 p -134.36 119.98 19.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.99 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -112.17 130.43 55.91 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 110.952 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -150.31 96.55 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.969 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -179.48 82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.384 1.053 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.41 64.75 4.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.449 1.093 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t 178.03 80.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.962 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 m -63.7 90.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.08 75.31 0.4 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 58.88 5.08 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.0 86.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.951 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.445 ' CE1' HE22 ' A' ' 13' ' ' GLN . 8.0 t-160 -149.44 122.94 9.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.651 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 m -131.38 145.87 52.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.947 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mt 62.98 103.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.445 HE22 ' CE1' ' A' ' 10' ' ' HIS . 2.7 tp60 -90.14 137.85 32.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.42 154.7 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.89 -74.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.497 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -38.89 -41.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.07 -51.21 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.558 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 9.5 ttt180 -56.01 -57.21 13.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.248 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.558 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 11.9 m-85 -97.81 57.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -89.92 -55.57 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.05 -34.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.237 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' CB ' HD21 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -73.8 -59.87 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.666 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 44.7 mmm -42.15 -40.51 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -43.17 94.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -67.16 -46.59 73.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.071 . . . . 0.0 108.285 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.4 mt -50.46 -54.55 21.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.212 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -48.92 -56.75 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.8 -49.77 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -34.62 69.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 135.05 -15.66 4.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -67.16 75.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' TYR . 31.8 m -71.85 -28.01 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.1 m120 -53.37 91.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.666 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 77.6 t80 -71.19 -64.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -42.19 -41.64 2.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.02 -66.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.223 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 94.6 m-20 -40.68 -58.79 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.19 -66.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -44.5 -46.6 9.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.87 -55.82 29.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.4 mt -46.88 -62.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.4 HD12 ' CB ' ' A' ' 15' ' ' PRO . 89.3 mt -48.5 -42.91 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.23 -31.4 70.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 41' ' ' LEU . 60.9 p -107.29 15.6 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.384 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' LEU . 19.0 t0 40.18 53.77 2.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.497 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 74.51 83.89 0.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -159.92 114.78 2.33 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.5 p -71.37 -60.09 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -41.55 -66.83 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.424 ' HB2' ' CG2' ' A' ' 44' ' ' THR . . . -51.19 -53.26 36.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 47' ' ' ASP . . . -46.57 -54.06 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 mt -55.82 -62.13 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -40.1 -48.87 2.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.06 -59.86 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 mt -47.27 -63.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.46 -61.46 1.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.33 -58.39 5.18 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 m -46.09 -61.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.94 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -174.46 128.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.92 -152.12 9.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -113.81 167.35 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 0.744 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 m 55.73 167.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.061 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.69 157.34 9.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 82.13 2.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -163.72 152.87 14.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.17 156.94 36.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.443 1.089 . . . . 0.0 111.04 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -168.74 -58.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -124.61 133.35 53.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.07 96.16 0.11 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m 58.52 162.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -129.67 134.01 47.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.13 -84.8 0.09 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 77.93 3.01 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.584 1.834 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -63.07 -59.7 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -114.76 164.79 13.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.2 p -111.88 90.99 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 110.022 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -153.13 101.78 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -119.61 158.3 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.04 152.56 2.77 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.386 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo -74.94 -63.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.422 1.748 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.67 -39.37 5.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.2 t -70.23 -38.12 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -66.4 -61.16 2.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.476 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 7.2 m-85 -97.46 57.64 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.0 -54.34 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -45.15 -33.75 2.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -73.71 -57.02 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.624 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 41.2 mmm -44.03 -40.86 5.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -41.32 96.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -35.51 81.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.331 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 37' ' ' ASN . 65.8 mt -61.16 -63.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -38.97 -52.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.8 -55.98 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.8 mtt -55.3 -33.65 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 130.3 -10.66 5.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.421 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 64.6 m-85 -69.5 74.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.474 0.749 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.7 m -65.87 -39.37 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.449 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.3 m-80 -40.98 97.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.624 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 46.5 t80 -82.23 -61.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.463 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 1.6 t-20 -45.55 -26.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.96 -66.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 96.5 m-20 -41.01 -53.27 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.514 HD13 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -51.29 -62.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 14.9 mm-40 -44.64 -35.94 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.23 -54.55 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.3 mt -46.52 -57.76 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 81.2 mt -51.07 -44.63 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.44 -24.39 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 78.1 p -110.27 17.86 20.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.438 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t0 41.24 41.91 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.476 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 83.11 91.25 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.155 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -165.83 111.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.366 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 p -69.02 -51.45 38.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -44.75 -65.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.38 -50.01 66.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.28 -54.06 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.0 mt -57.09 -58.79 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -47.53 -45.91 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -63.1 -57.33 10.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.9 mt -48.78 -60.01 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.82 -61.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -58.26 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.2 m -56.4 146.43 24.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -132.61 151.22 52.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.24 -171.59 36.59 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 54.94 169.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 0.716 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 t -128.45 94.7 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.071 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.85 97.11 0.77 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 103.39 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.517 1.798 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.7 p -178.18 95.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.3 p -65.41 117.82 8.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.08 86.25 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.955 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t 53.72 100.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.06 87.89 1.66 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 111.073 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -151.68 -58.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 110.022 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 p -143.28 121.17 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.59 173.47 55.26 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.431 1.082 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.431 1.753 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 p -110.04 110.39 21.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.972 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 45.97 63.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.625 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 m 60.99 159.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.52 172.64 13.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -59.15 173.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.487 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . . . 59.41 154.45 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -75.03 -74.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 111.016 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -49.54 -24.91 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.487 ' HB ' ' CB ' ' A' ' 14' ' ' ALA . 38.8 t -75.12 -34.53 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' PRO . 29.9 ttm180 -81.61 -33.29 31.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -108.43 30.3 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -64.23 -55.45 21.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -36.52 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -73.61 -59.81 2.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.635 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 55.6 mmm -41.78 -41.74 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -47.25 74.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -46.66 89.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.1 mt -53.82 -48.54 69.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -49.2 68.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.76 -52.0 15.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.0 mtm -56.66 -34.03 66.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.01 -15.61 4.27 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -65.52 78.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.0 m -76.94 -20.05 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 1.2 t-20 -57.67 91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 74.4 t80 -72.71 -61.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -45.75 -35.72 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.63 -64.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 93.4 m-20 -43.67 -53.65 5.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.546 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -45.35 -62.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -49.77 -53.98 21.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.4 -53.53 17.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' ASP . 8.7 mt -49.97 -61.04 2.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.8 mt -51.04 -40.24 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.75 -25.03 67.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' LEU . 67.6 p -110.48 12.29 22.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LEU . 2.4 t70 42.64 36.05 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.92 98.47 0.83 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -174.27 87.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -44.66 -52.33 8.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.373 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -41.1 -66.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.75 -54.84 32.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.23 -46.29 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.378 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.1 mt -63.16 -54.11 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -54.69 -45.94 74.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -65.23 -57.81 7.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 mt -47.89 -57.72 5.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -61.6 1.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m -48.56 -57.2 6.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.31 112.21 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.22 95.67 9.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.02 119.48 4.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 47.36 97.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.0 p -162.36 141.09 9.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.17 157.28 12.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 119.82 5.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.033 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.6 m 58.19 98.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.051 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.0 m -138.16 94.61 2.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.061 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.938 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -75.76 100.75 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -92.97 96.74 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.61 -121.88 3.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.105 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 m 61.58 156.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -149.42 134.13 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.33 97.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 73.68 4.25 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.463 1.77 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -155.79 132.3 10.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.06 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -123.56 124.39 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.616 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.4 t -178.56 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.8 mt -121.9 -171.57 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 6.2 tt0 64.44 139.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.48 ' CB ' ' HB ' ' A' ' 17' ' ' VAL . . . 57.99 159.02 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.6 Cg_endo -74.9 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.54 -33.24 44.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.48 ' HB ' ' CB ' ' A' ' 14' ' ' ALA . 37.3 t -69.2 -19.62 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -96.5 -47.22 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 46' ' ' GLY . 19.9 m-85 -92.86 27.12 2.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -56.24 24.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -46.11 -33.47 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.24 -54.04 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.555 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 62.8 mmm -47.22 -33.29 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -45.48 47.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.592 1.182 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -46.82 88.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.7 mt -52.23 -50.93 61.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.72 -55.49 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.23 -53.17 5.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.604 1.19 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.5 mtm -56.34 -33.52 65.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 130.85 -11.56 5.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -69.93 74.48 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.784 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.2 m -68.23 -36.7 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.6 OUTLIER -41.97 97.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CE2' HD11 ' A' ' 38' ' ' LEU . 74.8 t80 -77.09 -63.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -43.0 -45.36 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.76 -61.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 97.9 m-20 -46.03 -55.48 6.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.556 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -44.77 -60.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -56.66 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.2 -52.99 8.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 44' ' ' THR . 14.3 mt -50.93 -62.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.408 HD11 ' CB ' ' A' ' 15' ' ' PRO . 67.8 mt -50.2 -43.51 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.88 -25.23 67.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 41' ' ' LEU . 77.0 p -109.18 15.05 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 t0 48.24 38.22 9.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 80.46 91.66 0.47 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -162.9 120.38 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 0.815 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 p -72.17 -49.23 37.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -53.33 -59.05 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.46 -45.62 73.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.85 -60.01 4.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.3 mt -49.22 -50.02 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -53.89 52.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -57.43 -53.67 55.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.6 mt -51.13 -61.51 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.17 -62.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.84 -59.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.64 -60.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -149.08 151.87 35.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.98 87.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -64.9 129.87 41.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.2 117.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.23 76.27 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.94 19.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 p -174.2 111.74 0.16 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 0.0 109.979 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.23 138.0 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.416 1.072 . . . . 0.0 111.015 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.676 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -46.35 -32.85 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.07 . . . . 0.0 110.233 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.76 -39.84 86.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' PRO . 3.6 ttt180 -71.71 -47.22 55.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.6 ' HB3' HD22 ' A' ' 41' ' ' LEU . 14.4 m-85 -102.1 34.21 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -66.86 -58.75 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -30.55 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 20' ' ' SER . 1.7 mp0 -79.21 -54.68 5.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.612 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 58.9 mmm -46.64 -32.32 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.25 -42.6 54.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -41.23 96.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.406 HD13 ' HB3' ' A' ' 37' ' ' ASN . 11.5 mt -57.36 -54.48 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -47.52 -52.55 17.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.249 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.63 -48.69 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -32.35 72.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.373 1.046 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 129.29 -12.53 6.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -69.34 75.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.9 m -69.94 -31.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 26.2 m120 -44.35 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.612 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 91.1 t80 -79.0 -63.67 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -46.03 -27.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -82.41 -64.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.406 ' HB3' HD13 ' A' ' 26' ' ' LEU . 95.6 m-20 -45.47 -53.22 9.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.597 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -44.12 -65.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -51.87 -50.58 60.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 44' ' ' THR . . . -50.93 -47.06 61.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 19' ' ' PHE . 7.9 mt -56.35 -57.12 13.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.676 HD11 ' CB ' ' A' ' 15' ' ' PRO . 38.2 mt -55.76 -27.35 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -76.37 -23.23 54.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 40' ' ' ALA . 64.2 p -112.15 11.16 20.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 44.89 49.62 9.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.57 77.61 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.549 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -151.17 108.26 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.646 ' O ' HD12 ' A' ' 52' ' ' ILE . 7.8 p -66.43 -59.3 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -41.09 -66.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -53.32 -53.52 49.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -43.87 -48.27 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.646 HD12 ' O ' ' A' ' 48' ' ' THR . 4.3 mt -64.48 -58.14 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -44.02 -44.19 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -67.64 -61.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 51' ' ' ALA . 4.5 mt -43.74 -61.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.99 -58.38 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.518 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.94 -0.446 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -46.74 -43.33 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.244 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.76 -36.91 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' PRO . 2.7 ttt180 -70.28 -58.43 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.233 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.462 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 11.4 m-85 -96.68 41.53 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -73.63 -52.05 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -25.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 20' ' ' SER . 4.4 mp0 -84.73 -54.57 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.304 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.64 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 58.0 mmm -45.56 -30.0 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.86 -43.74 24.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -40.52 93.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.302 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 29' ' ' MET . 5.1 mt -61.21 -59.54 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' OE1' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -40.07 -45.79 2.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 110.319 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.7 -49.86 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' LEU . 21.1 mtm -58.07 -34.04 69.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.417 ' O ' HG13 ' A' ' 32' ' ' VAL . . . 133.28 -12.76 4.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.432 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 47.0 m-85 -68.78 79.19 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 30' ' ' GLY . 16.0 m -76.07 -18.49 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.728 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 12.8 p-10 -58.38 92.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.64 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 85.7 t80 -72.1 -62.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -46.06 -38.46 7.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.728 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -73.34 -63.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 31' ' ' PHE . 94.6 m-20 -44.61 -55.19 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.582 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -44.72 -60.66 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -49.61 -52.41 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.617 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -52.03 -54.6 28.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.505 HD12 ' SD ' ' A' ' 23' ' ' MET . 16.2 mt -47.16 -62.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.7 mt -49.86 -37.85 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -60.02 -32.27 70.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' LEU . 24.2 p -109.44 17.62 21.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 t70 42.02 47.94 3.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.462 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 78.69 80.2 0.75 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.642 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -153.24 100.39 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.757 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.644 ' O ' HD12 ' A' ' 52' ' ' ILE . 16.8 p -56.72 -59.85 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -42.55 -65.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -51.01 -53.19 35.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.381 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.84 -55.09 8.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 48' ' ' THR . 4.0 mt -54.76 -65.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -37.76 -46.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -63.94 -63.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.8 mt -43.54 -61.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.35 -61.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.219 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.147 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.056 -0.402 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -44.05 -43.18 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.69 -42.91 96.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' PRO . 11.3 ttm-85 -64.58 -54.71 27.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' HA3' ' A' ' 46' ' ' GLY . 15.0 m-85 -96.81 34.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' GLU . 7.1 p -69.14 -43.73 73.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.926 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -27.53 41.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.93 -52.34 6.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.678 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 56.8 mmm -45.41 -31.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.88 -48.54 20.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -41.38 77.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 108.278 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mt -58.42 -60.48 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -50.01 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.91 -52.6 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.1 mtm -57.11 -31.3 65.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 127.84 -10.62 6.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -70.47 75.17 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.9 m -69.06 -29.33 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.448 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 2.2 t-20 -47.16 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.678 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 84.6 t80 -76.3 -65.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.07 -42.29 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -68.52 -66.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 96.6 m-20 -43.02 -51.38 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.585 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -46.44 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -48.98 -54.87 13.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' THR . . . -46.13 -55.76 6.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD12 ' SD ' ' A' ' 23' ' ' MET . 23.4 mt -46.88 -54.5 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.585 HD11 HD22 ' A' ' 38' ' ' LEU . 7.4 mt -57.87 -40.99 78.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.37 -23.6 65.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.581 ' HB ' ' HB3' ' A' ' 50' ' ' ALA . 58.9 p -111.83 18.5 18.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.7 t0 41.13 68.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.487 ' HA3' ' CD1' ' A' ' 19' ' ' PHE . . . 47.49 80.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -156.11 106.07 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.666 ' O ' HD12 ' A' ' 52' ' ' ILE . 10.4 p -61.27 -51.36 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -43.36 -62.77 0.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.581 ' HB3' ' HB ' ' A' ' 44' ' ' THR . . . -55.34 -50.6 69.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.05 -52.11 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 48' ' ' THR . 4.1 mt -56.23 -63.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -42.25 -47.97 4.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -62.63 -61.83 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.7 mt -44.4 -62.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.77 -62.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.501 ' N ' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.29 -37.89 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.88 -38.32 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.8 tmt_? -75.0 -55.7 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -90.72 30.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' N ' ' A' ' 22' ' ' GLU . 1.3 p -65.26 -56.39 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -29.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 20' ' ' SER . 2.2 mp0 -80.44 -52.67 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.605 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 64.4 mmm -45.99 -36.53 5.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -49.56 44.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -52.91 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 108.24 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mt -45.63 -50.69 13.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -53.0 -55.93 19.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.23 -52.36 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.4 mtm -55.99 -34.47 65.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 133.35 -13.34 4.9 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -68.33 75.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' TYR . 23.6 m -71.49 -15.54 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.815 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 14.5 p-10 -60.06 84.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.605 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 87.0 t80 -67.16 -69.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -41.9 -47.83 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.815 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -63.38 -59.26 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 74.1 m-20 -44.57 -53.14 7.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.628 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -45.48 -69.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -44.55 -56.66 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 44' ' ' THR . . . -45.9 -54.93 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.6 mt -48.22 -60.06 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.628 HD11 HD22 ' A' ' 38' ' ' LEU . 11.3 mt -51.82 -43.34 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -22.36 64.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 40' ' ' ALA . 52.1 p -117.47 17.18 14.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' LEU . 11.0 t0 40.57 52.19 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.74 89.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 7.7 t0 -160.27 83.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.741 ' O ' HD12 ' A' ' 52' ' ' ILE . 67.9 p -38.69 -58.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -41.9 -65.58 0.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -52.68 -54.35 34.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.52 -52.0 10.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.418 1.074 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 48' ' ' THR . 3.9 mt -61.79 -56.93 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -46.73 -47.93 20.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -63.05 -63.42 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.7 mt -41.96 -61.34 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.65 -62.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.437 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.61 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -47.42 -39.29 15.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.1 -34.76 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -75.54 -54.39 7.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 110.374 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -90.42 25.07 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 111.068 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -58.02 -54.11 50.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.932 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -45.34 -37.93 5.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -71.59 -55.12 8.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.696 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 49.9 mmm -43.71 -34.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -52.65 10.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -39.22 71.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 23' ' ' MET . 21.6 mt -56.91 -55.34 35.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -48.56 -53.27 18.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.89 -48.15 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.7 mtm -61.98 -28.57 69.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 126.21 -12.56 7.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CD1' HD13 ' A' ' 55' ' ' LEU . 38.9 m-85 -68.19 71.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 26.4 m -64.23 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.42 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 8.7 m120 -43.93 96.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.696 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 43.8 t80 -81.07 -62.49 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -44.32 -30.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.292 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -80.76 -57.48 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 90.3 m-20 -44.25 -53.33 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -48.1 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -43.96 -53.42 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.237 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 44' ' ' THR . . . -53.15 -52.58 58.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' ASP . 16.0 mt -50.27 -57.11 8.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.25 -35.81 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.6 -23.06 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 40' ' ' ALA . 82.3 p -112.0 16.84 20.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.6 t70 42.26 32.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.09 98.5 0.54 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.53 1.144 . . . . 0.0 111.054 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 41.7 t0 -171.44 85.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -38.83 -52.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.18 -64.49 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -53.88 -50.57 66.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.69 -54.16 15.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 mt -54.07 -60.64 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -44.61 -51.27 9.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -58.44 -57.76 11.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.537 HD13 ' CD1' ' A' ' 31' ' ' PHE . 34.1 mt -50.32 -62.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.28 -61.91 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.6 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 109.979 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.459 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.067 -0.397 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -44.66 -36.69 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.168 . . . . 0.0 110.327 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.5 t -71.7 -40.82 70.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 14.6 ttt180 -63.68 -50.16 70.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 13.8 m-85 -105.08 45.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -77.54 -43.71 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.076 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -49.44 -32.16 11.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.733 ' HG2' HG23 ' A' ' 48' ' ' THR . 11.7 mp0 -79.21 -61.18 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.666 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 49.7 mmm -38.29 -36.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 111.059 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -48.95 53.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -61.64 -39.43 91.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 108.342 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 mt -56.52 -56.13 25.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -47.52 -55.19 9.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.98 -52.88 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.5 mtm -56.98 -33.73 67.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 131.65 -12.47 5.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -68.83 75.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 22.4 m -68.89 -38.52 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.845 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 2.2 m-20 -40.78 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.666 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 87.9 t80 -78.4 -65.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -43.63 -35.6 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.845 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -73.55 -66.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 96.5 m-20 -43.24 -54.23 4.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.475 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -43.6 -62.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -49.17 -59.34 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' THR . . . -44.27 -52.21 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.374 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ASP . 44.4 mt -51.17 -65.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.475 HD11 HD22 ' A' ' 38' ' ' LEU . 55.7 mt -47.1 -44.45 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.93 69.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 40' ' ' ALA . 51.3 p -106.02 17.46 23.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.357 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 21.9 m-20 41.19 47.2 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.02 87.5 0.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.458 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 2.2 t70 -157.15 85.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.733 HG23 ' HG2' ' A' ' 22' ' ' GLU . 2.3 p -47.28 -48.41 24.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -49.14 -66.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.444 1.09 . . . . 0.0 109.22 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -54.75 -49.97 69.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.95 -50.98 25.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 48' ' ' THR . 7.1 mt -57.74 -64.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -41.47 -48.22 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -60.22 -59.95 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.3 mt -45.8 -61.9 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.224 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.55 -61.98 0.96 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.226 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HB2' HD11 ' A' ' 42' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -49.51 -37.41 26.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.147 . . . . 0.0 110.259 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.3 t -73.93 -26.13 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -77.9 -40.01 41.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -112.16 23.04 14.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -57.49 -47.74 81.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -30.52 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -87.98 -30.15 20.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.709 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 59.3 mmm -66.71 -32.24 73.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -45.81 28.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -40.48 88.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.265 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 37' ' ' ASN . 10.5 mt -57.51 -52.3 65.95 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -49.78 -53.51 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.77 -51.45 12.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 56.6 mtm -58.44 -29.42 66.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 126.1 -11.13 7.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.56 74.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.413 0.714 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' TYR . 17.3 m -67.64 -31.77 53.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 36' ' ' ALA . 9.5 t-20 -45.94 96.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.709 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 91.8 t80 -77.91 -64.96 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -43.73 -36.32 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.464 ' HB3' ' CG ' ' A' ' 33' ' ' ASN . . . -73.62 -62.96 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.374 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB3' HD13 ' A' ' 26' ' ' LEU . 95.7 m-20 -44.86 -47.58 11.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.627 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -51.93 -65.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -48.7 -55.91 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.579 ' O ' HG23 ' A' ' 44' ' ' THR . . . -45.96 -54.81 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.384 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 mt -51.49 -57.67 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.627 HD11 HD22 ' A' ' 38' ' ' LEU . 54.4 mt -53.56 -33.39 22.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.369 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.13 -24.13 59.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 40' ' ' ALA . 66.1 p -109.49 16.82 21.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 45.98 30.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.95 96.32 0.7 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -170.6 90.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.633 ' C ' HD12 ' A' ' 52' ' ' ILE . 74.3 p -39.78 -56.22 1.79 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -40.88 -65.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.01 26.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.53 -55.69 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.633 HD12 ' C ' ' A' ' 48' ' ' THR . 3.8 mt -55.23 -57.44 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.04 -51.49 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -61.0 -61.96 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mt -42.79 -56.53 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.44 -62.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.194 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.984 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.33 -42.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.12 -46.44 87.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 19' ' ' PHE . 24.0 ttt180 -56.49 -60.59 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 18' ' ' ARG . 7.1 m-85 -99.26 60.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.19 -55.0 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -41.0 -52.47 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.523 ' HG2' HG23 ' A' ' 48' ' ' THR . 4.1 mp0 -54.6 -56.38 19.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.71 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 50.0 mmm -45.73 -44.12 13.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.606 1.191 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -35.28 78.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -34.38 67.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 37' ' ' ASN . 52.7 mt -62.1 -56.89 14.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.6 OUTLIER -46.29 -52.36 12.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.21 -56.01 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.4 mtm -55.73 -33.5 64.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 131.66 -12.65 5.39 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 72.5 m-85 -67.46 73.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 0.74 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' TYR . 31.3 m -65.74 -40.19 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.75 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 66.4 m-20 -40.98 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.71 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 47.4 t80 -81.83 -62.28 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.482 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 5.9 m-20 -45.82 -26.18 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 109.232 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.75 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -84.46 -66.13 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.684 ' HB3' HD13 ' A' ' 26' ' ' LEU . 96.2 m-20 -41.9 -53.95 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.55 HD22 ' CD1' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.31 -68.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 40.8 mm-40 -38.93 -35.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 37' ' ' ASN . . . -71.68 -54.08 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.51 HD23 ' H ' ' A' ' 47' ' ' ASP . 33.3 mt -48.94 -57.6 6.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.55 ' CD1' HD22 ' A' ' 38' ' ' LEU . 79.2 mt -49.66 -41.86 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.82 69.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 40' ' ' ALA . 55.2 p -109.69 21.3 17.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' LEU . 11.6 m-20 40.47 38.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.89 86.85 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.566 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 2.9 t70 -154.9 116.94 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 52' ' ' ILE . 4.3 p -75.46 -52.21 11.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 110.438 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -47.32 -66.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.12 65.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -51.72 -57.68 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 48' ' ' THR . 4.5 mt -52.97 -66.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.88 -47.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -62.15 -59.76 4.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.9 mt -46.33 -54.81 8.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.99 -60.12 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.641 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -46.43 -38.67 9.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.26 -35.5 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.246 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' PRO . 27.4 ttm180 -72.75 -53.22 12.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CE1' ' HA3' ' A' ' 46' ' ' GLY . 14.7 m-85 -95.57 25.51 4.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.432 ' CA ' ' O ' ' A' ' 16' ' ' GLU . 1.1 p -56.1 -50.46 70.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -34.48 13.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.0 -51.17 14.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.524 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 75.5 mmm -47.18 -42.14 19.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -41.85 86.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.566 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -63.74 -52.36 60.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 37' ' ' ASN . 10.3 mt -47.98 -60.1 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' CD ' HG12 ' A' ' 32' ' ' VAL . 1.6 mm-40 -45.28 -45.87 12.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 25' ' ' CYS . . . -48.89 -50.57 34.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.8 mtt -59.64 -28.92 67.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 32' ' ' VAL . . . 128.26 -14.95 6.16 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -65.69 73.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' TYR . 35.1 m -69.36 -20.28 24.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.832 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 1.7 m-20 -56.55 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.783 ' CE2' HD12 ' A' ' 38' ' ' LEU . 88.7 t80 -66.68 -65.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' TYR . 6.2 t-20 -40.52 -42.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.832 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -64.85 -63.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.534 ' HB3' HD13 ' A' ' 26' ' ' LEU . 97.2 m-20 -47.13 -58.58 3.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.783 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -44.3 -60.84 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' ALA . 52.5 mm-40 -55.2 -62.79 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 44' ' ' THR . . . -40.37 -57.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' ASP . 18.3 mt -45.79 -63.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.407 HD11 HD22 ' A' ' 38' ' ' LEU . 44.2 mt -50.0 -42.17 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.37 -27.61 69.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 40' ' ' ALA . 60.3 p -108.15 14.27 25.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' LEU . 20.3 t0 48.17 59.06 4.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.534 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 60.85 77.72 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.572 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -145.35 121.56 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.517 ' O ' HD12 ' A' ' 52' ' ' ILE . 2.3 p -76.81 -47.03 22.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.44 -64.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -52.59 -48.7 66.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -50.88 -57.67 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 48' ' ' THR . 10.0 mt -52.75 -64.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.42 -49.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -61.28 -56.9 15.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.413 HD11 ' OD1' ' A' ' 37' ' ' ASN . 53.9 mt -49.07 -59.98 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -47.0 -56.75 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.959 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.842 0 N-CA-C 110.938 -0.447 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.581 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -43.02 -42.72 3.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.59 -42.17 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -63.92 -48.33 77.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 20.3 m-85 -103.74 35.18 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' GLU . 11.4 p -67.41 -45.34 76.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -54.0 -27.95 34.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.65 -50.65 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.37 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.664 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 55.8 mmm -50.24 -36.09 29.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 111.024 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -51.56 51.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.217 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -51.36 69.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 108.268 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -46.44 -53.53 10.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.359 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.49 -55.85 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.246 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.35 -53.28 5.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.2 mtt -55.49 -34.12 64.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 132.15 -12.06 5.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -68.96 72.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 21.8 m -66.93 -36.95 78.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.709 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -42.01 97.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.664 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 82.4 t80 -78.76 -63.51 1.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.61 -37.03 5.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.709 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -72.06 -63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -43.66 -55.77 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.705 HD22 HD11 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -43.81 -66.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -45.92 -66.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -42.78 -56.23 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' ASP . 7.3 mt -46.14 -62.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.705 HD11 HD22 ' A' ' 38' ' ' LEU . 16.4 mt -50.47 -41.54 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -61.38 -25.5 67.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' LEU . 74.4 p -110.67 8.58 22.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.4 m-20 46.91 74.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.482 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 48.85 76.58 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.063 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.77 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -143.55 101.32 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.699 ' O ' HD12 ' A' ' 52' ' ' ILE . 3.4 p -62.65 -64.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -41.05 -59.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.77 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -56.82 -49.74 74.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -49.82 -54.0 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 48' ' ' THR . 3.4 mt -54.31 -64.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -38.02 -48.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -64.77 -60.46 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mt -46.28 -39.94 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -56.16 25.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.944 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.552 ' OE2' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -43.69 -40.0 3.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.552 HG23 ' OE2' ' A' ' 16' ' ' GLU . 42.3 t -63.51 -42.33 95.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . 7.2 ttm180 -70.17 -41.89 73.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.234 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CE1' ' HD2' ' A' ' 18' ' ' ARG . 18.0 m-85 -106.02 36.56 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.2 p -71.09 -56.38 6.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -42.48 -30.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 19' ' ' PHE . 22.3 mp0 -79.19 -55.55 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.669 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 55.6 mmm -47.17 -37.54 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.36 -47.97 74.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -50.83 67.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.11 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -46.99 -50.17 19.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -54.44 -54.67 37.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.8 -49.19 10.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -33.72 69.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 134.02 -15.57 4.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.422 ' CE2' HG12 ' A' ' 52' ' ' ILE . 70.8 m-85 -66.26 73.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 0.802 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' TYR . 35.1 m -71.09 -24.62 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.697 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -55.59 89.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.669 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 82.0 t80 -67.52 -64.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -41.04 -53.51 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.697 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -56.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -44.04 -58.29 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.741 HD22 HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -40.63 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -47.0 -65.33 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 44' ' ' THR . . . -41.44 -62.01 0.94 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' ASP . 22.1 mt -40.56 -61.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.741 HD11 HD22 ' A' ' 38' ' ' LEU . 38.2 mt -49.62 -44.08 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -63.06 -26.47 68.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' LEU . 52.3 p -109.08 16.48 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' LEU . 13.7 m-20 42.81 51.94 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 19' ' ' PHE . . . 66.9 86.61 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.721 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -156.56 94.03 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 0.795 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.762 ' C ' HD12 ' A' ' 52' ' ' ILE . 66.3 p -46.61 -63.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -40.55 -67.04 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.721 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -47.44 -57.02 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.62 -56.51 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.762 HD12 ' C ' ' A' ' 48' ' ' THR . 3.9 mt -55.34 -63.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -37.37 -45.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -67.35 -60.64 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.0 mt -45.43 -60.69 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -61.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.94 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.708 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 110.919 -0.454 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.749 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -40.55 -43.63 1.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.17 -45.59 93.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' PRO . 37.9 ttt180 -65.14 -42.03 94.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 18.6 m-85 -107.2 41.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' ' 22' ' ' GLU . 1.8 p -75.79 -55.53 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -43.85 -27.64 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.542 ' HG2' HG23 ' A' ' 48' ' ' THR . 2.5 mp0 -81.65 -54.62 5.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.637 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.2 mmm -46.94 -36.89 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -43.21 88.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -47.15 73.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 108.345 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.5 mt -50.83 -51.32 52.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -51.87 -55.22 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.97 -52.29 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.39 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -34.56 65.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 133.1 -13.47 4.96 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 61.1 m-85 -68.16 73.26 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 25.4 m -67.76 -35.73 73.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 2.3 t-20 -43.84 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.637 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 86.5 t80 -75.14 -65.65 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.9 -49.64 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.8 -66.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 89.7 m-20 -40.63 -58.77 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -40.37 -66.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -39.7 -55.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.51 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -52.58 -57.05 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' ASP . 20.0 mt -44.16 -58.19 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.708 HD11 ' CB ' ' A' ' 15' ' ' PRO . 84.2 mt -57.46 -33.81 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -66.41 -26.05 67.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 40' ' ' ALA . 31.1 p -114.19 11.23 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER 46.83 54.94 8.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.559 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 73.5 76.43 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.582 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -149.5 99.24 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.345 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.733 ' O ' HD12 ' A' ' 52' ' ' ILE . 6.9 p -60.19 -62.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -41.32 -66.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.177 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.582 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -50.85 -52.6 39.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -46.93 -55.08 8.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 48' ' ' THR . 3.5 mt -54.4 -63.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -37.61 -48.66 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -61.05 -62.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.9 mt -44.91 -63.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.44 -61.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.946 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' SER . 11.2 tm-20 -40.91 -50.16 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.75 -42.93 82.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.5 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 14.0 ttt-85 -55.04 -60.97 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.5 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 16.8 m-85 -101.07 38.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 5.8 p -68.16 -52.34 35.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.55 -26.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.615 ' HG2' HG23 ' A' ' 48' ' ' THR . 3.2 mp0 -82.97 -48.79 10.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.777 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 54.2 mmm -54.33 -32.5 56.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.51 -37.48 68.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -54.39 13.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 37' ' ' ASN . 16.0 mt -44.53 -48.54 10.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -56.02 -54.25 47.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.95 -46.36 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.455 ' HE2' HG12 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -62.4 -30.8 71.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.975 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 128.76 -13.24 6.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -69.51 74.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.784 . . . . 0.0 111.033 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' TYR . 19.7 m -69.55 -21.46 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.7 t-20 -54.64 90.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.777 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 85.2 t80 -73.98 -67.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -40.45 -38.08 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.36 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.06 -63.34 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.468 ' HB3' HD13 ' A' ' 26' ' ' LEU . 89.4 m-20 -43.1 -53.47 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -48.79 -63.77 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -46.58 -55.37 7.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 44' ' ' THR . . . -49.88 -55.24 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 mt -48.47 -61.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.465 ' CD1' HD22 ' A' ' 38' ' ' LEU . 69.7 mt -52.86 -35.84 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.24 -24.39 63.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 40' ' ' ALA . 82.1 p -110.88 15.86 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 47.7 37.72 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.405 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 76.98 90.41 0.27 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -159.46 82.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.776 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.615 HG23 ' HG2' ' A' ' 22' ' ' GLU . 2.9 p -41.23 -41.33 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -53.45 -65.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.71 -44.65 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.76 -56.25 19.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 48' ' ' THR . 9.1 mt -52.1 -58.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -46.93 -53.62 11.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -57.58 -60.64 3.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.2 mt -42.81 -60.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -43.3 -62.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.067 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.714 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.945 -0.444 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.488 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -43.48 -40.21 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.18 -44.01 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.2 ttt180 -69.05 -43.21 75.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -109.48 48.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -47.81 9.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -49.62 -29.48 7.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HG2' HG23 ' A' ' 48' ' ' THR . 8.6 mp0 -79.39 -54.08 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.652 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.3 mmm -47.32 -32.52 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -47.69 57.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -62.21 -39.55 93.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 108.293 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.424 HD23 ' HE1' ' A' ' 29' ' ' MET . 91.2 mt -60.6 -62.17 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -44.11 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 25' ' ' CYS . . . -53.55 -52.14 60.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.424 ' HE1' HD23 ' A' ' 26' ' ' LEU . 24.5 mtm -55.0 -34.75 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.6 -10.27 4.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.086 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -69.18 76.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 0.802 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' TYR . 28.2 m -75.65 -17.98 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.429 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 3.0 m120 -60.58 84.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.652 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 63.9 t80 -65.25 -63.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -41.71 -49.68 4.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ASN . . . -63.73 -66.02 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 94.1 m-20 -40.6 -56.39 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.421 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -40.31 -67.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -43.48 -53.72 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.59 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -48.47 -62.47 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 44' ' ' THR . 40.8 mt -41.58 -62.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.714 HD11 ' CB ' ' A' ' 15' ' ' PRO . 88.7 mt -49.58 -39.0 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -62.19 -31.3 71.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 109.275 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LEU . 25.6 p -109.95 19.29 19.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 41.49 29.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 44' ' ' THR . . . 95.11 92.72 1.71 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 16.7 t0 -161.13 85.67 0.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.591 ' O ' HD12 ' A' ' 52' ' ' ILE . 3.2 p -46.25 -47.53 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -50.54 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -55.8 -46.12 78.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.61 -55.89 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 48' ' ' THR . 6.5 mt -54.12 -56.35 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -48.33 -51.73 24.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -60.35 -61.66 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.3 mt -44.6 -57.45 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -45.68 -60.49 2.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.931 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.785 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.634 ' CD ' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -46.54 -34.96 5.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.3 t -73.31 -36.44 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' PRO . 27.2 ttt180 -75.3 -42.24 55.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.672 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 17.4 m-85 -105.39 31.22 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.64 -49.48 66.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -52.25 -28.62 19.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -80.27 -50.55 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.635 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.8 mmm -46.69 -36.29 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.3 -51.78 16.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -33.52 62.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 108.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.29 -51.63 50.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 32' ' ' VAL . 2.9 mm-40 -46.63 -50.13 18.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.48 -54.12 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -33.48 63.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.11 -11.45 5.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -68.92 75.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' HA ' ' NE2' ' A' ' 27' ' ' GLN . 27.8 m -72.57 -29.8 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -48.36 95.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 76.3 t80 -71.77 -64.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' TYR . 5.9 m-20 -39.87 -57.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.66 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -44.06 -60.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.634 HD11 ' CD ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -40.47 -59.01 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -55.07 -54.78 38.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -50.02 -55.73 13.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD12 ' SD ' ' A' ' 23' ' ' MET . 18.0 mt -45.8 -55.65 6.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.785 HD11 ' CB ' ' A' ' 15' ' ' PRO . 48.6 mt -59.04 -27.72 36.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -74.08 -22.37 59.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -116.03 11.63 15.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t0 48.8 58.55 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.672 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 65.79 75.38 0.42 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -145.0 121.61 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.651 ' C ' HD12 ' A' ' 52' ' ' ILE . 12.1 p -77.33 -59.42 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -42.24 -64.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -48.71 -54.72 13.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.62 -57.61 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.651 HD12 ' C ' ' A' ' 48' ' ' THR . 3.9 mt -49.22 -64.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -40.78 -53.89 2.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -58.22 -64.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.6 mt -41.37 -62.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.7 -61.51 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.931 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 111.051 -0.403 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' SER . 14.5 tm-20 -41.02 -56.17 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -55.29 -38.69 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -63.77 -55.53 22.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -111.84 54.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.4 p -88.6 -52.97 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -45.87 -28.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.24 -54.42 5.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.682 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 46.8 mmm -47.38 -28.33 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.27 -38.89 41.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.442 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -67.07 -43.37 82.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.284 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 37' ' ' ASN . 21.7 mt -56.48 -62.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -38.74 -48.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 25' ' ' CYS . . . -48.48 -54.6 13.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 38.4 mtm -54.89 -30.82 59.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.76 -11.27 5.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 39.2 m-85 -69.02 78.67 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' TYR . 21.6 m -73.68 -27.73 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.635 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 85.7 m-20 -50.9 93.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE2' HD12 ' A' ' 38' ' ' LEU . 78.2 t80 -74.77 -65.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -42.7 -28.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.251 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -83.53 -66.11 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 31' ' ' PHE . 94.3 m-20 -41.57 -54.01 3.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.734 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -49.55 -68.13 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -40.88 -50.55 3.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -56.93 -56.28 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ASP . 31.8 mt -44.66 -60.95 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -50.92 -38.21 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -63.71 -31.64 72.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.3 p -109.74 19.4 19.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.453 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' LEU . 12.1 t0 40.42 50.74 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.76 80.27 0.48 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.55 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -151.56 92.83 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.708 ' C ' HD12 ' A' ' 52' ' ' ILE . 58.6 p -48.59 -60.32 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -40.4 -66.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -48.34 -54.3 14.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.44 -58.0 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.708 HD12 ' C ' ' A' ' 48' ' ' THR . 3.6 mt -52.83 -59.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -45.0 -52.63 8.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -58.85 -62.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' LYS . 20.8 mt -42.67 -63.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' LEU . 6.0 mtmt -40.61 -60.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.939 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.497 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -38.89 -41.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.07 -51.21 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 9.5 ttt180 -56.01 -57.21 13.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.248 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 11.9 m-85 -97.81 57.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -89.92 -55.57 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.05 -34.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.237 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -73.8 -59.87 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.666 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 44.7 mmm -42.15 -40.51 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -43.17 94.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -67.16 -46.59 73.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.071 . . . . 0.0 108.285 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.4 mt -50.46 -54.55 21.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.212 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -48.92 -56.75 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.8 -49.77 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -34.62 69.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 135.05 -15.66 4.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -67.16 75.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' TYR . 31.8 m -71.85 -28.01 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.463 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.1 m120 -53.37 91.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.666 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 77.6 t80 -71.19 -64.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -42.19 -41.64 2.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -69.02 -66.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.223 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 94.6 m-20 -40.68 -58.79 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -40.19 -66.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -44.5 -46.6 9.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -57.87 -55.82 29.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.4 mt -46.88 -62.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.3 mt -48.5 -42.91 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -60.23 -31.4 70.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 41' ' ' LEU . 60.9 p -107.29 15.6 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.384 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' LEU . 19.0 t0 40.18 53.77 2.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.497 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 74.51 83.89 0.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -159.92 114.78 2.33 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.723 ' O ' HD12 ' A' ' 52' ' ' ILE . 11.5 p -71.37 -60.09 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -41.55 -66.83 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -51.19 -53.26 36.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -46.57 -54.06 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 48' ' ' THR . 3.8 mt -55.82 -62.13 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -40.1 -48.87 2.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.06 -59.86 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 mt -47.27 -63.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.46 -61.46 1.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 110.946 -0.444 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -44.67 -39.37 5.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.2 t -70.23 -38.12 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -66.4 -61.16 2.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.476 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 7.2 m-85 -97.46 57.64 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.0 -54.34 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -45.15 -33.75 2.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG2' HG23 ' A' ' 48' ' ' THR . 4.3 mp0 -73.71 -57.02 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.715 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 41.2 mmm -44.03 -40.86 5.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -41.32 96.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -35.51 81.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.331 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 23' ' ' MET . 65.8 mt -61.16 -63.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -38.97 -52.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.8 -55.98 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.8 mtt -55.3 -33.65 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 130.3 -10.66 5.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.421 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 64.6 m-85 -69.5 74.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.474 0.749 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.7 m -65.87 -39.37 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.449 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 11.6 m120 -40.98 97.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.715 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 46.5 t80 -82.23 -61.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.463 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 1.6 t-20 -45.55 -26.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.96 -66.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.588 ' HB3' HD13 ' A' ' 26' ' ' LEU . 96.5 m-20 -41.01 -53.27 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.494 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -51.29 -62.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 14.9 mm-40 -44.64 -35.94 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' ASN . . . -71.23 -54.55 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 47' ' ' ASP . 19.3 mt -46.52 -57.76 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.432 HD11 ' CB ' ' A' ' 15' ' ' PRO . 81.2 mt -51.07 -44.63 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.44 -24.39 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 40' ' ' ALA . 78.1 p -110.27 17.86 20.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.438 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t0 41.24 41.91 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.476 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 83.11 91.25 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.155 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.491 ' H ' HD23 ' A' ' 41' ' ' LEU . 2.2 t70 -165.83 111.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.366 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.613 ' O ' HD12 ' A' ' 52' ' ' ILE . 8.9 p -69.02 -51.45 38.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -44.75 -65.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.38 -50.01 66.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.28 -54.06 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 48' ' ' THR . 5.0 mt -57.09 -58.79 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -47.53 -45.91 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -63.1 -57.33 10.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.9 mt -48.78 -60.01 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.82 -61.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.523 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.461 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -49.54 -24.91 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.12 -34.53 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' PRO . 29.9 ttm180 -81.61 -33.29 31.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' HB3' HD22 ' A' ' 41' ' ' LEU . 31.0 m-85 -108.43 30.3 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -64.23 -55.45 21.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -36.52 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.464 ' HG2' HG23 ' A' ' 48' ' ' THR . 2.0 mp0 -73.61 -59.81 2.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.697 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 55.6 mmm -41.78 -41.74 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -47.25 74.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -46.66 89.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.1 mt -53.82 -48.54 69.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -49.2 68.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.76 -52.0 15.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.0 mtm -56.66 -34.03 66.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.422 ' O ' HG13 ' A' ' 32' ' ' VAL . . . 135.01 -15.61 4.27 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -65.52 78.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 30' ' ' GLY . 32.0 m -76.94 -20.05 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.677 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 1.2 t-20 -57.67 91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.697 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 74.4 t80 -72.71 -61.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -45.75 -35.72 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.677 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -76.63 -64.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 93.4 m-20 -43.67 -53.65 5.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.566 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -45.35 -62.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -49.77 -53.98 21.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 44' ' ' THR . . . -48.4 -53.53 17.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' ASP . 8.7 mt -49.97 -61.04 2.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.566 HD11 HD22 ' A' ' 38' ' ' LEU . 20.8 mt -51.04 -40.24 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.75 -25.03 67.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 40' ' ' ALA . 67.6 p -110.48 12.29 22.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LEU . 2.4 t70 42.64 36.05 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.92 98.47 0.83 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -174.27 87.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 22' ' ' GLU . 2.3 p -44.66 -52.33 8.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.373 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -41.1 -66.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.75 -54.84 32.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.23 -46.29 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.378 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.1 mt -63.16 -54.11 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -54.69 -45.94 74.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -65.23 -57.81 7.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 mt -47.89 -57.72 5.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -61.6 1.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.657 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.687 ' CD ' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -52.54 -33.24 44.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.3 t -69.2 -19.62 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -96.5 -47.22 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 46' ' ' GLY . 19.9 m-85 -92.86 27.12 2.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -56.24 24.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -46.11 -33.47 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.24 -54.04 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.653 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 62.8 mmm -47.22 -33.29 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -45.48 47.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.592 1.182 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -46.82 88.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.7 mt -52.23 -50.93 61.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.72 -55.49 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.23 -53.17 5.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.604 1.19 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.5 mtm -56.34 -33.52 65.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 130.85 -11.56 5.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -69.93 74.48 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.784 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.2 m -68.23 -36.7 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -41.97 97.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 74.8 t80 -77.09 -63.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -43.0 -45.36 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -63.76 -61.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 97.9 m-20 -46.03 -55.48 6.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.687 HD11 ' CD ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -44.77 -60.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -56.66 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 44' ' ' THR . . . -45.2 -52.99 8.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 44' ' ' THR . 14.3 mt -50.93 -62.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.657 HD11 ' CB ' ' A' ' 15' ' ' PRO . 67.8 mt -50.2 -43.51 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.88 -25.23 67.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 40' ' ' ALA . 77.0 p -109.18 15.05 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 t0 48.24 38.22 9.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 80.46 91.66 0.47 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.614 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 14.6 t0 -162.9 120.38 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 0.815 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 p -72.17 -49.23 37.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -53.33 -59.05 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -54.46 -45.62 73.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.85 -60.01 4.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.3 mt -49.22 -50.02 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -53.89 52.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.465 ' HE2' HG22 ' A' ' 44' ' ' THR . 10.1 mttp -57.43 -53.67 55.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.6 mt -51.13 -61.51 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.17 -62.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.84 114.06 18.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.044 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 119.82 14.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.42 -151.81 52.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m 62.17 109.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.3 118.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.92 -167.26 19.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 169.57 22.32 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.9 t -101.67 109.79 21.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -69.3 -60.53 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 p -178.68 131.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.2 mt 65.8 85.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -119.84 164.17 16.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.78 155.33 11.46 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.676 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.98 -64.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.558 1.82 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -46.35 -32.85 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.07 . . . . 0.0 110.233 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.76 -39.84 86.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' PRO . 3.6 ttt180 -71.71 -47.22 55.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.6 ' HB3' HD22 ' A' ' 41' ' ' LEU . 14.4 m-85 -102.1 34.21 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -66.86 -58.75 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -30.55 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 20' ' ' SER . 1.7 mp0 -79.21 -54.68 5.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.612 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 58.9 mmm -46.64 -32.32 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.25 -42.6 54.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -41.23 96.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.406 HD13 ' HB3' ' A' ' 37' ' ' ASN . 11.5 mt -57.36 -54.48 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -47.52 -52.55 17.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.249 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.63 -48.69 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -32.35 72.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.373 1.046 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 129.29 -12.53 6.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -69.34 75.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.9 m -69.94 -31.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 26.2 m120 -44.35 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.612 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 91.1 t80 -79.0 -63.67 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -46.03 -27.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -82.41 -64.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.406 ' HB3' HD13 ' A' ' 26' ' ' LEU . 95.6 m-20 -45.47 -53.22 9.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.597 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -44.12 -65.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -51.87 -50.58 60.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 44' ' ' THR . . . -50.93 -47.06 61.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 19' ' ' PHE . 7.9 mt -56.35 -57.12 13.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.676 HD11 ' CB ' ' A' ' 15' ' ' PRO . 38.2 mt -55.76 -27.35 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -76.37 -23.23 54.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 40' ' ' ALA . 64.2 p -112.15 11.16 20.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 44.89 49.62 9.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.57 77.61 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.549 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -151.17 108.26 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.646 ' O ' HD12 ' A' ' 52' ' ' ILE . 7.8 p -66.43 -59.3 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -41.09 -66.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -53.32 -53.52 49.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -43.87 -48.27 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.646 HD12 ' O ' ' A' ' 48' ' ' THR . 4.3 mt -64.48 -58.14 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -44.02 -44.19 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -67.64 -61.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 51' ' ' ALA . 4.5 mt -43.74 -61.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.99 -58.38 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.27 -56.37 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.61 126.69 14.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.949 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -120.32 79.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.64 1.212 . . . . 0.0 110.257 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.99 75.92 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 51.56 98.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t -148.53 -58.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.948 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.01 96.91 0.11 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 107.16 2.42 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -136.43 110.72 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.968 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -134.69 168.21 19.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.964 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.62 98.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.035 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.09 96.13 9.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.92 115.69 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -108.4 88.89 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -80.15 103.0 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.38 -85.51 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.417 1.746 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 m -53.9 152.74 5.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -83.45 154.85 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.637 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.2 t -120.44 87.26 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 tt -154.88 83.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -111.74 151.44 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . . . -51.24 154.59 2.77 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.518 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.3 Cg_endo -74.99 -63.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.479 1.779 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -46.74 -43.33 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.244 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 14' ' ' ALA . 85.1 t -56.76 -36.91 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' PRO . 2.7 ttt180 -70.28 -58.43 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.233 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.462 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 11.4 m-85 -96.68 41.53 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -73.63 -52.05 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -25.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 20' ' ' SER . 4.4 mp0 -84.73 -54.57 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.304 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.64 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 58.0 mmm -45.56 -30.0 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.86 -43.74 24.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -40.52 93.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.302 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 29' ' ' MET . 5.1 mt -61.21 -59.54 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' OE1' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -40.07 -45.79 2.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 110.319 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.7 -49.86 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' LEU . 21.1 mtm -58.07 -34.04 69.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' O ' HG13 ' A' ' 32' ' ' VAL . . . 133.28 -12.76 4.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.432 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 47.0 m-85 -68.78 79.19 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 30' ' ' GLY . 16.0 m -76.07 -18.49 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.728 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 12.8 p-10 -58.38 92.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.64 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 85.7 t80 -72.1 -62.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -46.06 -38.46 7.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.728 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -73.34 -63.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 31' ' ' PHE . 94.6 m-20 -44.61 -55.19 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.582 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -44.72 -60.66 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -49.61 -52.41 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.617 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -52.03 -54.6 28.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.505 HD12 ' SD ' ' A' ' 23' ' ' MET . 16.2 mt -47.16 -62.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.7 mt -49.86 -37.85 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -60.02 -32.27 70.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' LEU . 24.2 p -109.44 17.62 21.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 t70 42.02 47.94 3.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.462 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 78.69 80.2 0.75 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.642 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -153.24 100.39 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.757 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.644 ' O ' HD12 ' A' ' 52' ' ' ILE . 16.8 p -56.72 -59.85 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -42.55 -65.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -51.01 -53.19 35.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.381 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.84 -55.09 8.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 48' ' ' THR . 4.0 mt -54.76 -65.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -37.76 -46.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -63.94 -63.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.8 mt -43.54 -61.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.35 -61.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.219 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.94 -58.03 1.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.147 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.27 155.19 29.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 154.93 16.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.78 116.32 0.89 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.458 1.099 . . . . 0.0 111.06 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -68.35 97.52 0.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 0.819 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.15 136.82 7.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.41 157.27 3.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 120.33 6.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.073 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.75 92.15 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.926 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.8 m -108.37 135.25 49.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.614 1.196 . . . . 0.0 110.968 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -130.18 85.8 2.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 0.812 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.24 81.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.65 130.76 2.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -87.21 91.09 8.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 0.806 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -61.4 -59.06 5.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.09 97.16 2.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.412 1.07 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.43 42.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.541 1.811 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 m 63.54 121.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -48.3 148.09 2.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.16 88.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.11 100.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -134.41 159.82 39.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.83 154.56 1.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.98 -65.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -44.05 -43.18 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.69 -42.91 96.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' PRO . 11.3 ttm-85 -64.58 -54.71 27.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' HA3' ' A' ' 46' ' ' GLY . 15.0 m-85 -96.81 34.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' GLU . 7.1 p -69.14 -43.73 73.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.926 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -27.53 41.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.93 -52.34 6.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.678 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 56.8 mmm -45.41 -31.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.88 -48.54 20.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -41.38 77.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 108.278 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mt -58.42 -60.48 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -50.01 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.91 -52.6 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.1 mtm -57.11 -31.3 65.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 127.84 -10.62 6.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -70.47 75.17 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.9 m -69.06 -29.33 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.448 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 2.2 t-20 -47.16 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.678 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 84.6 t80 -76.3 -65.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.07 -42.29 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -68.52 -66.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 96.6 m-20 -43.02 -51.38 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.585 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -46.44 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -48.98 -54.87 13.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' THR . . . -46.13 -55.76 6.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD12 ' SD ' ' A' ' 23' ' ' MET . 23.4 mt -46.88 -54.5 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.585 HD11 HD22 ' A' ' 38' ' ' LEU . 7.4 mt -57.87 -40.99 78.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.37 -23.6 65.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.581 ' HB ' ' HB3' ' A' ' 50' ' ' ALA . 58.9 p -111.83 18.5 18.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.7 t0 41.13 68.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.487 ' HA3' ' CD1' ' A' ' 19' ' ' PHE . . . 47.49 80.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -156.11 106.07 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.666 ' O ' HD12 ' A' ' 52' ' ' ILE . 10.4 p -61.27 -51.36 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -43.36 -62.77 0.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.581 ' HB3' ' HB ' ' A' ' 44' ' ' THR . . . -55.34 -50.6 69.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.05 -52.11 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 48' ' ' THR . 4.1 mt -56.23 -63.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -42.25 -47.97 4.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -62.63 -61.83 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.7 mt -44.4 -62.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.77 -62.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.12 -57.69 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.18 -61.17 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -154.23 130.07 10.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.354 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.7 142.74 5.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 47.58 97.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.753 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 m -133.56 97.89 4.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.63 157.7 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.45 7.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.409 1.741 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -104.89 -60.17 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.2 98.3 6.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.954 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -122.63 93.7 4.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.84 104.16 11.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.964 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.66 -179.56 15.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.59 151.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -166.5 127.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.05 80.4 1.46 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 107.06 2.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.35 88.04 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.9 -59.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.562 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.3 p -102.23 169.82 8.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.87 167.33 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -168.74 161.0 10.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.18 154.18 0.81 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.0 Cg_endo -75.1 -64.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' N ' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.29 -37.89 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.88 -38.32 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.8 tmt_? -75.0 -55.7 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -90.72 30.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' N ' ' A' ' 22' ' ' GLU . 1.3 p -65.26 -56.39 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -29.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 20' ' ' SER . 2.2 mp0 -80.44 -52.67 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.605 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 64.4 mmm -45.99 -36.53 5.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -49.56 44.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -52.91 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 108.24 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mt -45.63 -50.69 13.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -53.0 -55.93 19.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.23 -52.36 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.4 mtm -55.99 -34.47 65.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 133.35 -13.34 4.9 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -68.33 75.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' TYR . 23.6 m -71.49 -15.54 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.815 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 14.5 p-10 -60.06 84.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.605 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 87.0 t80 -67.16 -69.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -41.9 -47.83 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.815 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -63.38 -59.26 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 74.1 m-20 -44.57 -53.14 7.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.628 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -45.48 -69.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -44.55 -56.66 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 44' ' ' THR . . . -45.9 -54.93 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.6 mt -48.22 -60.06 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.628 HD11 HD22 ' A' ' 38' ' ' LEU . 11.3 mt -51.82 -43.34 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -22.36 64.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 40' ' ' ALA . 52.1 p -117.47 17.18 14.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' LEU . 11.0 t0 40.57 52.19 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.74 89.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 7.7 t0 -160.27 83.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.741 ' O ' HD12 ' A' ' 52' ' ' ILE . 67.9 p -38.69 -58.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -41.9 -65.58 0.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -52.68 -54.35 34.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.52 -52.0 10.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.418 1.074 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 48' ' ' THR . 3.9 mt -61.79 -56.93 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -46.73 -47.93 20.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -63.05 -63.42 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.7 mt -41.96 -61.34 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.65 -62.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.44 -58.06 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.8 p -67.34 167.5 12.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.465 1.103 . . . . 0.0 110.078 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -110.22 169.03 9.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.56 128.11 1.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -78.34 151.64 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 0.704 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 p -142.64 167.46 22.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.82 -157.77 33.62 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 88.63 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.4 p -168.13 128.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.942 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -50.0 102.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p 60.4 85.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.09 -58.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.944 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.9 -101.29 0.21 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 111.093 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 74.58 -57.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.07 117.85 35.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.95 157.26 27.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.118 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.62 42.13 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -85.36 98.79 10.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 64.62 95.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.2 p -136.51 172.07 13.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.04 -107.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 66.06 158.75 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 154.05 11.44 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.437 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 18.4 Cg_endo -74.94 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.61 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -47.42 -39.29 15.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.1 -34.76 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -75.54 -54.39 7.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 110.374 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -90.42 25.07 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 111.068 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -58.02 -54.11 50.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.932 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -45.34 -37.93 5.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -71.59 -55.12 8.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.696 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 49.9 mmm -43.71 -34.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -52.65 10.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -39.22 71.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 23' ' ' MET . 21.6 mt -56.91 -55.34 35.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -48.56 -53.27 18.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.89 -48.15 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.7 mtm -61.98 -28.57 69.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 126.21 -12.56 7.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CD1' HD13 ' A' ' 55' ' ' LEU . 38.9 m-85 -68.19 71.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 26.4 m -64.23 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.42 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 8.7 m120 -43.93 96.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.696 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 43.8 t80 -81.07 -62.49 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -44.32 -30.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.292 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -80.76 -57.48 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 90.3 m-20 -44.25 -53.33 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -48.1 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -43.96 -53.42 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.237 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 44' ' ' THR . . . -53.15 -52.58 58.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' ASP . 16.0 mt -50.27 -57.11 8.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.25 -35.81 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.6 -23.06 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 40' ' ' ALA . 82.3 p -112.0 16.84 20.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.6 t70 42.26 32.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.09 98.5 0.54 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.53 1.144 . . . . 0.0 111.054 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 41.7 t0 -171.44 85.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -38.83 -52.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.18 -64.49 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -53.88 -50.57 66.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.69 -54.16 15.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 mt -54.07 -60.64 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -44.61 -51.27 9.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -58.44 -57.76 11.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.537 HD13 ' CD1' ' A' ' 31' ' ' PHE . 34.1 mt -50.32 -62.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.28 -61.91 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.6 m -44.31 -60.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 109.979 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.6 p -101.37 86.86 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -60.2 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.8 -116.52 4.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.44 142.71 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.5 p -137.42 123.52 20.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.57 -160.58 3.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 146.68 32.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.5 m -159.03 130.4 6.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.95 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.8 p -44.27 161.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.911 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.3 -58.56 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -121.13 159.98 24.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.07 78.24 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.562 1.163 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 p -168.67 127.41 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -142.93 123.33 13.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.13 -165.52 12.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 99.73 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.88 -57.2 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.004 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -98.9 -60.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.4 p -56.81 169.89 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt 56.65 175.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -82.65 154.82 24.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.31 154.82 0.38 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.459 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.4 Cg_endo -74.94 -64.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.545 1.813 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -44.66 -36.69 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.168 . . . . 0.0 110.327 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.5 t -71.7 -40.82 70.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 14.6 ttt180 -63.68 -50.16 70.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 13.8 m-85 -105.08 45.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -77.54 -43.71 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.076 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -49.44 -32.16 11.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.733 ' HG2' HG23 ' A' ' 48' ' ' THR . 11.7 mp0 -79.21 -61.18 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.666 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 49.7 mmm -38.29 -36.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 111.059 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -48.95 53.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -61.64 -39.43 91.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 108.342 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 mt -56.52 -56.13 25.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -47.52 -55.19 9.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.98 -52.88 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.5 mtm -56.98 -33.73 67.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 131.65 -12.47 5.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -68.83 75.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 22.4 m -68.89 -38.52 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.845 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 2.2 m-20 -40.78 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.666 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 87.9 t80 -78.4 -65.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -43.63 -35.6 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.845 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -73.55 -66.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 96.5 m-20 -43.24 -54.23 4.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.475 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -43.6 -62.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -49.17 -59.34 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' THR . . . -44.27 -52.21 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.374 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ASP . 44.4 mt -51.17 -65.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.475 HD11 HD22 ' A' ' 38' ' ' LEU . 55.7 mt -47.1 -44.45 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.93 69.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 40' ' ' ALA . 51.3 p -106.02 17.46 23.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.357 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 21.9 m-20 41.19 47.2 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.02 87.5 0.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.458 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 2.2 t70 -157.15 85.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.733 HG23 ' HG2' ' A' ' 22' ' ' GLU . 2.3 p -47.28 -48.41 24.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -49.14 -66.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.444 1.09 . . . . 0.0 109.22 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -54.75 -49.97 69.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.95 -50.98 25.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 48' ' ' THR . 7.1 mt -57.74 -64.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -41.47 -48.22 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -60.22 -59.95 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.3 mt -45.8 -61.9 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.224 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.55 -61.98 0.96 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.226 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.0 m -40.5 -60.3 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -108.0 96.5 6.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -137.33 96.07 3.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.88 91.58 1.0 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.55 106.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.8 p -93.62 162.64 13.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.04 97.68 2.5 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.474 1.108 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.96 11.9 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 t 46.31 81.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.0 t -139.07 -57.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.042 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t 55.24 83.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.043 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -169.04 166.17 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.955 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.53 -129.54 1.13 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 p -176.89 153.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 0.796 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.92 101.06 2.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.24 157.68 15.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 78.85 2.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -97.61 -57.97 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.021 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 44.11 80.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.6 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.7 t 39.91 89.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 59.85 -107.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -111.19 148.2 33.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.416 1.072 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.93 150.79 5.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HB2' HD11 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -74.98 -58.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -49.51 -37.41 26.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.147 . . . . 0.0 110.259 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.3 t -73.93 -26.13 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -77.9 -40.01 41.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -112.16 23.04 14.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -57.49 -47.74 81.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -30.52 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -87.98 -30.15 20.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.709 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 59.3 mmm -66.71 -32.24 73.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -45.81 28.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -40.48 88.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.265 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 37' ' ' ASN . 10.5 mt -57.51 -52.3 65.95 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -49.78 -53.51 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.77 -51.45 12.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 56.6 mtm -58.44 -29.42 66.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 126.1 -11.13 7.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.56 74.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.413 0.714 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' TYR . 17.3 m -67.64 -31.77 53.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 36' ' ' ALA . 9.5 t-20 -45.94 96.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.709 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 91.8 t80 -77.91 -64.96 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -43.73 -36.32 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' HB3' ' CG ' ' A' ' 33' ' ' ASN . . . -73.62 -62.96 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.374 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB3' HD13 ' A' ' 26' ' ' LEU . 95.7 m-20 -44.86 -47.58 11.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.627 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -51.93 -65.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -48.7 -55.91 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.579 ' O ' HG23 ' A' ' 44' ' ' THR . . . -45.96 -54.81 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.384 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 mt -51.49 -57.67 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.627 HD11 HD22 ' A' ' 38' ' ' LEU . 54.4 mt -53.56 -33.39 22.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.369 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.13 -24.13 59.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 40' ' ' ALA . 66.1 p -109.49 16.82 21.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 45.98 30.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.95 96.32 0.7 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -170.6 90.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.633 ' C ' HD12 ' A' ' 52' ' ' ILE . 74.3 p -39.78 -56.22 1.79 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -40.88 -65.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.01 26.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.53 -55.69 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.633 HD12 ' C ' ' A' ' 48' ' ' THR . 3.8 mt -55.23 -57.44 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.04 -51.49 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -61.0 -61.96 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mt -42.79 -56.53 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.44 -62.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.194 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t -43.75 -58.86 2.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.984 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.86 115.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.57 79.11 9.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.34 -108.78 3.34 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -153.86 113.57 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 0.788 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 t -158.5 147.23 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.77 96.15 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 163.81 34.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.453 1.765 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.8 p -46.07 130.09 9.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.4 t -101.05 112.54 25.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -158.64 152.17 23.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -139.38 159.82 41.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.77 -158.02 8.58 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.86 170.04 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.74 . . . . 0.0 109.935 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -111.32 -58.2 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.15 96.45 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 170.58 20.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.5 159.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.16 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -151.53 88.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.592 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.8 171.01 7.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mt -90.0 102.72 15.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -139.93 158.91 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.39 153.85 1.7 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.5 Cg_endo -74.98 -68.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.761 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.33 -42.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.12 -46.44 87.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 19' ' ' PHE . 24.0 ttt180 -56.49 -60.59 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 18' ' ' ARG . 7.1 m-85 -99.26 60.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.19 -55.0 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -41.0 -52.47 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.523 ' HG2' HG23 ' A' ' 48' ' ' THR . 4.1 mp0 -54.6 -56.38 19.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.71 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 50.0 mmm -45.73 -44.12 13.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.606 1.191 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -35.28 78.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -34.38 67.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 37' ' ' ASN . 52.7 mt -62.1 -56.89 14.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.6 OUTLIER -46.29 -52.36 12.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.21 -56.01 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.4 mtm -55.73 -33.5 64.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 131.66 -12.65 5.39 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 72.5 m-85 -67.46 73.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 0.74 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' TYR . 31.3 m -65.74 -40.19 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.75 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 66.4 m-20 -40.98 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.71 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 47.4 t80 -81.83 -62.28 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.482 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 5.9 m-20 -45.82 -26.18 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 109.232 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.75 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -84.46 -66.13 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.684 ' HB3' HD13 ' A' ' 26' ' ' LEU . 96.2 m-20 -41.9 -53.95 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.55 HD22 ' CD1' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.31 -68.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 40.8 mm-40 -38.93 -35.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 37' ' ' ASN . . . -71.68 -54.08 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.51 HD23 ' H ' ' A' ' 47' ' ' ASP . 33.3 mt -48.94 -57.6 6.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.55 ' CD1' HD22 ' A' ' 38' ' ' LEU . 79.2 mt -49.66 -41.86 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.82 69.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 40' ' ' ALA . 55.2 p -109.69 21.3 17.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' LEU . 11.6 m-20 40.47 38.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.89 86.85 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.566 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 2.9 t70 -154.9 116.94 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 52' ' ' ILE . 4.3 p -75.46 -52.21 11.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 110.438 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -47.32 -66.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.12 65.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -51.72 -57.68 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 48' ' ' THR . 4.5 mt -52.97 -66.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.88 -47.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -62.15 -59.76 4.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.9 mt -46.33 -54.81 8.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.99 -60.12 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m -46.35 -58.06 4.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.32 109.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.378 1.049 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -152.72 99.2 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.54 -73.96 0.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.52 109.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.0 m -149.71 158.24 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.44 157.57 8.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 62.73 5.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.7 p -152.31 129.16 10.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -81.28 137.52 35.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -62.54 168.33 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 t -115.87 -59.26 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.85 65.91 0.05 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.59 111.32 0.47 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.783 . . . . 0.0 109.943 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 p -169.7 -56.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.054 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.91 -145.79 4.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.4 14.58 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.463 1.77 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -39.61 148.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.033 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.4 73.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.623 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.92 153.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt 59.32 91.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -78.14 160.49 27.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.416 ' HB3' ' HB ' ' A' ' 17' ' ' VAL . . . -52.82 154.66 4.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.99 -65.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.641 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -46.43 -38.67 9.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 14' ' ' ALA . 84.0 t -68.26 -35.5 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' PRO . 27.4 ttm180 -72.75 -53.22 12.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CE1' ' HA3' ' A' ' 46' ' ' GLY . 14.7 m-85 -95.57 25.51 4.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.432 ' CA ' ' O ' ' A' ' 16' ' ' GLU . 1.1 p -56.1 -50.46 70.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -34.48 13.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.0 -51.17 14.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.524 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 75.5 mmm -47.18 -42.14 19.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -41.85 86.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.566 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -63.74 -52.36 60.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 37' ' ' ASN . 10.3 mt -47.98 -60.1 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' CD ' HG12 ' A' ' 32' ' ' VAL . 1.6 mm-40 -45.28 -45.87 12.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 25' ' ' CYS . . . -48.89 -50.57 34.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.8 mtt -59.64 -28.92 67.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 32' ' ' VAL . . . 128.26 -14.95 6.16 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -65.69 73.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' TYR . 35.1 m -69.36 -20.28 24.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.832 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 1.7 m-20 -56.55 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.783 ' CE2' HD12 ' A' ' 38' ' ' LEU . 88.7 t80 -66.68 -65.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' TYR . 6.2 t-20 -40.52 -42.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.832 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -64.85 -63.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.534 ' HB3' HD13 ' A' ' 26' ' ' LEU . 97.2 m-20 -47.13 -58.58 3.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.783 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -44.3 -60.84 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' ALA . 52.5 mm-40 -55.2 -62.79 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 44' ' ' THR . . . -40.37 -57.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' ASP . 18.3 mt -45.79 -63.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.407 HD11 HD22 ' A' ' 38' ' ' LEU . 44.2 mt -50.0 -42.17 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.37 -27.61 69.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 40' ' ' ALA . 60.3 p -108.15 14.27 25.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' LEU . 20.3 t0 48.17 59.06 4.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.534 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 60.85 77.72 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.572 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -145.35 121.56 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.517 ' O ' HD12 ' A' ' 52' ' ' ILE . 2.3 p -76.81 -47.03 22.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.44 -64.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -52.59 -48.7 66.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -50.88 -57.67 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 48' ' ' THR . 10.0 mt -52.75 -64.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.42 -49.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -61.28 -56.9 15.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.413 HD11 ' OD1' ' A' ' 37' ' ' ASN . 53.9 mt -49.07 -59.98 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -47.0 -56.75 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.57 -52.77 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.959 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.2 t -109.98 92.31 4.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.078 . . . . 0.0 109.953 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -60.8 -55.34 34.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.55 -123.65 7.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 56.65 100.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.79 95.4 8.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.81 70.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 66' ' ' SER . 18.5 Cg_endo -74.95 60.13 5.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.478 1.778 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m 69.36 -64.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' PRO . 1.6 m -167.28 97.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t 45.42 93.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.942 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -175.72 -58.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.11 60.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 111.057 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.14 -58.95 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 0.811 . . . . 0.0 110.016 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.17 153.43 27.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.999 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.38 -160.96 27.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.28 40.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 p -75.56 101.33 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -172.26 125.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t -128.13 138.1 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.91 156.02 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -130.29 154.25 47.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.55 154.26 0.91 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 18.1 Cg_endo -75.11 -66.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.461 1.769 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.581 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -43.02 -42.72 3.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.59 -42.17 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -63.92 -48.33 77.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 20.3 m-85 -103.74 35.18 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' GLU . 11.4 p -67.41 -45.34 76.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -54.0 -27.95 34.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.65 -50.65 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.37 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.664 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 55.8 mmm -50.24 -36.09 29.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 111.024 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -51.56 51.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.217 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -51.36 69.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 108.268 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -46.44 -53.53 10.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.359 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.49 -55.85 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.246 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.35 -53.28 5.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.2 mtt -55.49 -34.12 64.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 132.15 -12.06 5.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -68.96 72.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 21.8 m -66.93 -36.95 78.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.709 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -42.01 97.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.664 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 82.4 t80 -78.76 -63.51 1.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.61 -37.03 5.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.709 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -72.06 -63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -43.66 -55.77 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.705 HD22 HD11 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -43.81 -66.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -45.92 -66.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -42.78 -56.23 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' ASP . 7.3 mt -46.14 -62.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.705 HD11 HD22 ' A' ' 38' ' ' LEU . 16.4 mt -50.47 -41.54 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -61.38 -25.5 67.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' LEU . 74.4 p -110.67 8.58 22.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.4 m-20 46.91 74.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.482 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 48.85 76.58 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.063 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.77 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -143.55 101.32 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.699 ' O ' HD12 ' A' ' 52' ' ' ILE . 3.4 p -62.65 -64.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -41.05 -59.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.77 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -56.82 -49.74 74.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -49.82 -54.0 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 48' ' ' THR . 3.4 mt -54.31 -64.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -38.02 -48.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -64.77 -60.46 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mt -46.28 -39.94 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -56.16 25.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.6 p -60.72 -54.09 49.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.3 p -77.83 89.5 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -175.76 -58.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.92 91.71 2.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.64 154.28 40.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.783 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.9 m -132.04 155.17 48.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.45 95.64 0.31 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.611 1.194 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -50.58 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.782 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.2 t 63.16 97.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -155.85 125.11 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -163.53 121.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.91 97.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.088 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.46 -147.73 27.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -66.88 -58.43 5.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 110.045 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -159.53 105.27 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 110.006 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.8 160.41 0.29 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 61.74 5.69 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.78 159.91 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.947 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -63.64 -62.29 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.587 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.3 m 43.68 87.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.5 134.79 45.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -160.06 171.74 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.41 154.05 0.53 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.94 -65.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.394 1.734 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.552 ' OE2' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -43.69 -40.0 3.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.552 HG23 ' OE2' ' A' ' 16' ' ' GLU . 42.3 t -63.51 -42.33 95.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . 7.2 ttm180 -70.17 -41.89 73.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.234 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CE1' ' HD2' ' A' ' 18' ' ' ARG . 18.0 m-85 -106.02 36.56 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.2 p -71.09 -56.38 6.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -42.48 -30.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 19' ' ' PHE . 22.3 mp0 -79.19 -55.55 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.669 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 55.6 mmm -47.17 -37.54 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.36 -47.97 74.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -50.83 67.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.11 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -46.99 -50.17 19.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -54.44 -54.67 37.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.8 -49.19 10.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -33.72 69.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 134.02 -15.57 4.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.422 ' CE2' HG12 ' A' ' 52' ' ' ILE . 70.8 m-85 -66.26 73.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 0.802 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' TYR . 35.1 m -71.09 -24.62 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.697 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -55.59 89.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.669 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 82.0 t80 -67.52 -64.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -41.04 -53.51 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.697 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -56.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -44.04 -58.29 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.741 HD22 HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -40.63 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -47.0 -65.33 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 44' ' ' THR . . . -41.44 -62.01 0.94 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' ASP . 22.1 mt -40.56 -61.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.741 HD11 HD22 ' A' ' 38' ' ' LEU . 38.2 mt -49.62 -44.08 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -63.06 -26.47 68.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' LEU . 52.3 p -109.08 16.48 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' LEU . 13.7 m-20 42.81 51.94 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 19' ' ' PHE . . . 66.9 86.61 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.721 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -156.56 94.03 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 0.795 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.762 ' C ' HD12 ' A' ' 52' ' ' ILE . 66.3 p -46.61 -63.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -40.55 -67.04 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.721 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -47.44 -57.02 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.62 -56.51 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.762 HD12 ' C ' ' A' ' 48' ' ' THR . 3.9 mt -55.34 -63.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -37.37 -45.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -67.35 -60.64 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.0 mt -45.43 -60.69 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -61.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -58.82 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.94 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.14 167.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.975 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.84 171.11 10.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.65 -117.01 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -63.69 116.1 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.3 m -41.31 127.55 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -40.45 100.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 67.42 5.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.0 m 52.43 88.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.1 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.3 p -44.65 116.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.133 . . . . 0.0 110.954 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.94 96.05 3.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 110.057 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.98 131.78 14.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.94 -114.85 4.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.94 111.77 6.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 0.801 . . . . 0.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -140.78 116.25 10.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.8 -170.65 39.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -38.4 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.435 1.755 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t -66.56 130.14 42.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.7 89.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.29 -57.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.72 76.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -137.31 143.43 42.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.16 152.59 1.02 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.708 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.05 -67.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.749 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -40.55 -43.63 1.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.17 -45.59 93.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' PRO . 37.9 ttt180 -65.14 -42.03 94.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 18.6 m-85 -107.2 41.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' ' 22' ' ' GLU . 1.8 p -75.79 -55.53 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -43.85 -27.64 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.542 ' HG2' HG23 ' A' ' 48' ' ' THR . 2.5 mp0 -81.65 -54.62 5.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.637 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.2 mmm -46.94 -36.89 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -43.21 88.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -47.15 73.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 108.345 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.5 mt -50.83 -51.32 52.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -51.87 -55.22 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.97 -52.29 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.39 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -34.56 65.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 133.1 -13.47 4.96 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 61.1 m-85 -68.16 73.26 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 25.4 m -67.76 -35.73 73.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 2.3 t-20 -43.84 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.637 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 86.5 t80 -75.14 -65.65 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.9 -49.64 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.8 -66.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 89.7 m-20 -40.63 -58.77 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -40.37 -66.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -39.7 -55.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.51 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -52.58 -57.05 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' ASP . 20.0 mt -44.16 -58.19 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.708 HD11 ' CB ' ' A' ' 15' ' ' PRO . 84.2 mt -57.46 -33.81 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -66.41 -26.05 67.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 40' ' ' ALA . 31.1 p -114.19 11.23 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER 46.83 54.94 8.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.559 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 73.5 76.43 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.582 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -149.5 99.24 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.345 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.733 ' O ' HD12 ' A' ' 52' ' ' ILE . 6.9 p -60.19 -62.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -41.32 -66.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.177 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.582 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -50.85 -52.6 39.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -46.93 -55.08 8.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 48' ' ' THR . 3.5 mt -54.4 -63.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -37.61 -48.66 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -61.05 -62.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.9 mt -44.91 -63.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.44 -61.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.4 t -44.98 -58.2 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.1 m -67.94 103.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.934 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 56.48 92.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.85 -120.57 1.9 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 51.86 95.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t 57.7 101.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.09 -79.05 1.3 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.481 1.113 . . . . 0.0 111.069 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.9 t -96.77 -58.58 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -155.06 143.23 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m 61.07 98.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.602 0.824 . . . . 0.0 110.045 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -114.13 -58.29 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.71 130.49 4.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 p -120.45 159.15 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.21 98.14 8.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.6 -164.37 12.84 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 105.73 2.14 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.596 1.84 . . . . 0.0 111.01 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.87 156.03 42.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -67.66 142.55 56.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.55 -53.52 53.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -27.98 69.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 56.7 162.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.36 154.72 0.79 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.99 -68.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' SER . 11.2 tm-20 -40.91 -50.16 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.75 -42.93 82.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.5 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 14.0 ttt-85 -55.04 -60.97 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.5 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 16.8 m-85 -101.07 38.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 5.8 p -68.16 -52.34 35.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.55 -26.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.615 ' HG2' HG23 ' A' ' 48' ' ' THR . 3.2 mp0 -82.97 -48.79 10.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.777 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 54.2 mmm -54.33 -32.5 56.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.51 -37.48 68.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -54.39 13.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 37' ' ' ASN . 16.0 mt -44.53 -48.54 10.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -56.02 -54.25 47.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.95 -46.36 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.455 ' HE2' HG12 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -62.4 -30.8 71.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.975 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 128.76 -13.24 6.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -69.51 74.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.784 . . . . 0.0 111.033 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' TYR . 19.7 m -69.55 -21.46 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.7 t-20 -54.64 90.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.777 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 85.2 t80 -73.98 -67.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -40.45 -38.08 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.36 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.06 -63.34 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.468 ' HB3' HD13 ' A' ' 26' ' ' LEU . 89.4 m-20 -43.1 -53.47 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -48.79 -63.77 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -46.58 -55.37 7.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 44' ' ' THR . . . -49.88 -55.24 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 mt -48.47 -61.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.465 ' CD1' HD22 ' A' ' 38' ' ' LEU . 69.7 mt -52.86 -35.84 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.24 -24.39 63.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 40' ' ' ALA . 82.1 p -110.88 15.86 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 47.7 37.72 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.405 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 76.98 90.41 0.27 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -159.46 82.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.776 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.615 HG23 ' HG2' ' A' ' 22' ' ' GLU . 2.9 p -41.23 -41.33 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -53.45 -65.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.71 -44.65 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.76 -56.25 19.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 48' ' ' THR . 9.1 mt -52.1 -58.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -46.93 -53.62 11.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -57.58 -60.64 3.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.2 mt -42.81 -60.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -43.3 -62.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.82 -58.56 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.067 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 t -45.46 -61.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.947 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -160.17 -59.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.11 153.63 0.03 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -66.55 164.52 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 0.822 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -141.44 90.06 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 158.37 94.8 0.1 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.72 13.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 t -70.79 -59.29 2.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.956 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.89 140.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -56.35 -57.25 13.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 110.012 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.26 127.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.23 -176.33 39.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.076 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -102.26 166.41 10.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 0.796 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -54.08 114.06 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.31 95.87 1.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.54 4.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 111.048 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.33 96.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 109.943 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -106.68 77.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.544 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.98 82.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tt 49.95 89.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -95.5 161.19 14.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.73 154.41 4.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.714 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.03 -66.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -43.48 -40.21 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.18 -44.01 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.2 ttt180 -69.05 -43.21 75.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -109.48 48.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -47.81 9.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -49.62 -29.48 7.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HG2' HG23 ' A' ' 48' ' ' THR . 8.6 mp0 -79.39 -54.08 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.652 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.3 mmm -47.32 -32.52 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -47.69 57.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -62.21 -39.55 93.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 108.293 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.424 HD23 ' HE1' ' A' ' 29' ' ' MET . 91.2 mt -60.6 -62.17 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -44.11 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 25' ' ' CYS . . . -53.55 -52.14 60.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.424 ' HE1' HD23 ' A' ' 26' ' ' LEU . 24.5 mtm -55.0 -34.75 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.6 -10.27 4.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.086 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -69.18 76.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 0.802 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' TYR . 28.2 m -75.65 -17.98 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.429 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 3.0 m120 -60.58 84.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.652 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 63.9 t80 -65.25 -63.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -41.71 -49.68 4.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ASN . . . -63.73 -66.02 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 94.1 m-20 -40.6 -56.39 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.421 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -40.31 -67.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -43.48 -53.72 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.59 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -48.47 -62.47 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 44' ' ' THR . 40.8 mt -41.58 -62.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.714 HD11 ' CB ' ' A' ' 15' ' ' PRO . 88.7 mt -49.58 -39.0 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -62.19 -31.3 71.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 109.275 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LEU . 25.6 p -109.95 19.29 19.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 41.49 29.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 44' ' ' THR . . . 95.11 92.72 1.71 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 16.7 t0 -161.13 85.67 0.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.591 ' O ' HD12 ' A' ' 52' ' ' ILE . 3.2 p -46.25 -47.53 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -50.54 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -55.8 -46.12 78.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.61 -55.89 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 48' ' ' THR . 6.5 mt -54.12 -56.35 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -48.33 -51.73 24.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -60.35 -61.66 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.3 mt -44.6 -57.45 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -45.68 -60.49 2.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.76 -58.54 3.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.931 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 m -56.14 104.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 110.0 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -168.03 84.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.11 151.12 26.39 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.04 172.3 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -47.35 133.59 12.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.974 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -151.64 96.3 0.17 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 111.06 3.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -161.43 94.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 65' ' ' SER . 0.2 OUTLIER 78.87 -58.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -174.94 121.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 0.775 . . . . 0.0 110.014 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -173.16 -58.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.53 135.94 6.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.17 167.17 31.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 0.736 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.4 p -56.95 150.04 17.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.13 91.96 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 111.065 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 143.02 28.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -84.39 -58.09 2.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.037 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -138.95 98.82 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.606 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.58 159.36 43.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.14 154.1 42.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -153.29 149.34 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' HB3' ' HB ' ' A' ' 17' ' ' VAL . . . -47.72 155.13 0.83 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.785 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.6 Cg_endo -74.93 -66.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.431 1.753 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.634 ' CD ' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -46.54 -34.96 5.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 14' ' ' ALA . 74.3 t -73.31 -36.44 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' PRO . 27.2 ttt180 -75.3 -42.24 55.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.672 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 17.4 m-85 -105.39 31.22 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.64 -49.48 66.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -52.25 -28.62 19.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -80.27 -50.55 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.635 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.8 mmm -46.69 -36.29 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.3 -51.78 16.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -33.52 62.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 108.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.29 -51.63 50.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 32' ' ' VAL . 2.9 mm-40 -46.63 -50.13 18.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.48 -54.12 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -33.48 63.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.11 -11.45 5.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -68.92 75.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' HA ' ' NE2' ' A' ' 27' ' ' GLN . 27.8 m -72.57 -29.8 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -48.36 95.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 76.3 t80 -71.77 -64.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' TYR . 5.9 m-20 -39.87 -57.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.66 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -44.06 -60.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.634 HD11 ' CD ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -40.47 -59.01 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -55.07 -54.78 38.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -50.02 -55.73 13.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD12 ' SD ' ' A' ' 23' ' ' MET . 18.0 mt -45.8 -55.65 6.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.785 HD11 ' CB ' ' A' ' 15' ' ' PRO . 48.6 mt -59.04 -27.72 36.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -74.08 -22.37 59.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -116.03 11.63 15.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t0 48.8 58.55 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.672 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 65.79 75.38 0.42 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -145.0 121.61 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.651 ' C ' HD12 ' A' ' 52' ' ' ILE . 12.1 p -77.33 -59.42 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -42.24 -64.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -48.71 -54.72 13.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.62 -57.61 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.651 HD12 ' C ' ' A' ' 48' ' ' THR . 3.9 mt -49.22 -64.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -40.78 -53.89 2.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -58.22 -64.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.6 mt -41.37 -62.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.7 -61.51 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.81 -57.7 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.931 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -54.83 123.21 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.961 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -58.16 125.97 25.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.258 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 170.3 101.84 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.9 t80 52.58 100.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -70.63 169.5 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.938 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.84 83.62 0.88 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.37 16.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 0.0 110.959 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' GLY . 8.4 t -146.28 149.98 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t 67.34 -71.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' SER . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -165.36 101.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.84 126.96 21.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.29 -164.12 33.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 p -143.26 100.12 3.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.096 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.69 -53.94 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.85 95.61 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 78.05 3.0 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.567 1.825 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 p -120.95 158.88 26.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.922 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 50.85 91.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.631 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.74 120.48 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.033 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -118.26 79.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -128.38 157.52 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.64 153.07 0.81 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.92 -67.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 111.051 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' SER . 14.5 tm-20 -41.02 -56.17 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -55.29 -38.69 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -63.77 -55.53 22.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -111.84 54.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.4 p -88.6 -52.97 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -45.87 -28.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.24 -54.42 5.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.682 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 46.8 mmm -47.38 -28.33 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.27 -38.89 41.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.442 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -67.07 -43.37 82.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.284 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 37' ' ' ASN . 21.7 mt -56.48 -62.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -38.74 -48.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 25' ' ' CYS . . . -48.48 -54.6 13.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 38.4 mtm -54.89 -30.82 59.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.76 -11.27 5.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 39.2 m-85 -69.02 78.67 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' TYR . 21.6 m -73.68 -27.73 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.635 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 85.7 m-20 -50.9 93.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE2' HD12 ' A' ' 38' ' ' LEU . 78.2 t80 -74.77 -65.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -42.7 -28.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.251 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -83.53 -66.11 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 31' ' ' PHE . 94.3 m-20 -41.57 -54.01 3.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.734 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -49.55 -68.13 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -40.88 -50.55 3.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -56.93 -56.28 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ASP . 31.8 mt -44.66 -60.95 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -50.92 -38.21 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -63.71 -31.64 72.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.3 p -109.74 19.4 19.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.453 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' LEU . 12.1 t0 40.42 50.74 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.76 80.27 0.48 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.55 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -151.56 92.83 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.708 ' C ' HD12 ' A' ' 52' ' ' ILE . 58.6 p -48.59 -60.32 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -40.4 -66.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -48.34 -54.3 14.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.44 -58.0 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.708 HD12 ' C ' ' A' ' 48' ' ' THR . 3.6 mt -52.83 -59.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -45.0 -52.63 8.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -58.85 -62.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' LYS . 20.8 mt -42.67 -63.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' LEU . 6.0 mtmt -40.61 -60.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.99 -56.99 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.982 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.94 128.72 31.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.22 130.79 46.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 110.5 -174.94 17.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.429 1.081 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.0 t80 46.89 94.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 0.729 . . . . 0.0 110.984 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t 65.31 148.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.44 91.88 1.77 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -41.01 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.0 p -134.36 119.98 19.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.99 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -112.17 130.43 55.91 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 110.952 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -150.31 96.55 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.969 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -179.48 82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.384 1.053 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.41 64.75 4.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.449 1.093 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t 178.03 80.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.962 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 m -63.7 90.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.08 75.31 0.4 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 58.88 5.08 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.0 86.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.951 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -149.44 122.94 9.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.651 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 m -131.38 145.87 52.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.947 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mt 62.98 103.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -90.14 137.85 32.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.42 154.7 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.3 Cg_endo -74.89 -74.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.497 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -38.89 -41.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.07 -51.21 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 9.5 ttt180 -56.01 -57.21 13.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.248 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 11.9 m-85 -97.81 57.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -89.92 -55.57 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.05 -34.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.237 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -73.8 -59.87 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.666 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 44.7 mmm -42.15 -40.51 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -43.17 94.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -67.16 -46.59 73.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.071 . . . . 0.0 108.285 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.4 mt -50.46 -54.55 21.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.212 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -48.92 -56.75 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.8 -49.77 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -34.62 69.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 135.05 -15.66 4.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -67.16 75.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' TYR . 31.8 m -71.85 -28.01 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.463 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.1 m120 -53.37 91.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.666 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 77.6 t80 -71.19 -64.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -42.19 -41.64 2.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -69.02 -66.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.223 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 94.6 m-20 -40.68 -58.79 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -40.19 -66.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -44.5 -46.6 9.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -57.87 -55.82 29.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.4 mt -46.88 -62.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.3 mt -48.5 -42.91 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -60.23 -31.4 70.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 41' ' ' LEU . 60.9 p -107.29 15.6 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.384 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' LEU . 19.0 t0 40.18 53.77 2.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.497 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 74.51 83.89 0.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -159.92 114.78 2.33 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.723 ' O ' HD12 ' A' ' 52' ' ' ILE . 11.5 p -71.37 -60.09 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -41.55 -66.83 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -51.19 -53.26 36.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -46.57 -54.06 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 48' ' ' THR . 3.8 mt -55.82 -62.13 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -40.1 -48.87 2.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.06 -59.86 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 mt -47.27 -63.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.46 -61.46 1.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.33 -58.39 5.18 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 m -46.09 -61.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.94 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -174.46 128.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.92 -152.12 9.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -113.81 167.35 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 0.744 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 m 55.73 167.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.061 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.69 157.34 9.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 82.13 2.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -163.72 152.87 14.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.17 156.94 36.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.443 1.089 . . . . 0.0 111.04 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -168.74 -58.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -124.61 133.35 53.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.07 96.16 0.11 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m 58.52 162.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -129.67 134.01 47.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.13 -84.8 0.09 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 77.93 3.01 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.584 1.834 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -63.07 -59.7 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -114.76 164.79 13.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.2 p -111.88 90.99 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 110.022 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -153.13 101.78 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -119.61 158.3 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.04 152.56 2.77 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.386 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo -74.94 -63.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.422 1.748 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -44.67 -39.37 5.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.2 t -70.23 -38.12 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -66.4 -61.16 2.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.476 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 7.2 m-85 -97.46 57.64 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.0 -54.34 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -45.15 -33.75 2.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG2' HG23 ' A' ' 48' ' ' THR . 4.3 mp0 -73.71 -57.02 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.715 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 41.2 mmm -44.03 -40.86 5.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -41.32 96.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -35.51 81.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.331 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 23' ' ' MET . 65.8 mt -61.16 -63.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -38.97 -52.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.8 -55.98 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.8 mtt -55.3 -33.65 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 130.3 -10.66 5.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.421 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 64.6 m-85 -69.5 74.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.474 0.749 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.7 m -65.87 -39.37 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.449 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 11.6 m120 -40.98 97.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.715 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 46.5 t80 -82.23 -61.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.463 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 1.6 t-20 -45.55 -26.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.96 -66.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.588 ' HB3' HD13 ' A' ' 26' ' ' LEU . 96.5 m-20 -41.01 -53.27 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.494 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -51.29 -62.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 14.9 mm-40 -44.64 -35.94 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' ASN . . . -71.23 -54.55 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 47' ' ' ASP . 19.3 mt -46.52 -57.76 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.432 HD11 ' CB ' ' A' ' 15' ' ' PRO . 81.2 mt -51.07 -44.63 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.44 -24.39 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 40' ' ' ALA . 78.1 p -110.27 17.86 20.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.438 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t0 41.24 41.91 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.476 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 83.11 91.25 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.155 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.491 ' H ' HD23 ' A' ' 41' ' ' LEU . 2.2 t70 -165.83 111.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.366 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.613 ' O ' HD12 ' A' ' 52' ' ' ILE . 8.9 p -69.02 -51.45 38.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -44.75 -65.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.38 -50.01 66.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.28 -54.06 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 48' ' ' THR . 5.0 mt -57.09 -58.79 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -47.53 -45.91 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -63.1 -57.33 10.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.9 mt -48.78 -60.01 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.82 -61.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -58.26 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.2 m -56.4 146.43 24.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -132.61 151.22 52.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.24 -171.59 36.59 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 54.94 169.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 0.716 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 t -128.45 94.7 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.071 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.85 97.11 0.77 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 103.39 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.517 1.798 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.7 p -178.18 95.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.3 p -65.41 117.82 8.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.08 86.25 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.955 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t 53.72 100.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.06 87.89 1.66 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 111.073 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -151.68 -58.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 110.022 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 p -143.28 121.17 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.59 173.47 55.26 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.431 1.082 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.431 1.753 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 p -110.04 110.39 21.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.972 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 45.97 63.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.625 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 m 60.99 159.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.52 172.64 13.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -59.15 173.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.879 ' HB3' ' HB ' ' A' ' 17' ' ' VAL . . . 59.41 154.45 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.523 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.4 Cg_endo -75.03 -74.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 111.016 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -49.54 -24.91 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.879 ' HB ' ' HB3' ' A' ' 14' ' ' ALA . 38.8 t -75.12 -34.53 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' PRO . 29.9 ttm180 -81.61 -33.29 31.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' HB3' HD22 ' A' ' 41' ' ' LEU . 31.0 m-85 -108.43 30.3 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -64.23 -55.45 21.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -36.52 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.464 ' HG2' HG23 ' A' ' 48' ' ' THR . 2.0 mp0 -73.61 -59.81 2.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.697 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 55.6 mmm -41.78 -41.74 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -47.25 74.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -46.66 89.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.1 mt -53.82 -48.54 69.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -49.2 68.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.76 -52.0 15.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.0 mtm -56.66 -34.03 66.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.422 ' O ' HG13 ' A' ' 32' ' ' VAL . . . 135.01 -15.61 4.27 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -65.52 78.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 30' ' ' GLY . 32.0 m -76.94 -20.05 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.677 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 1.2 t-20 -57.67 91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.697 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 74.4 t80 -72.71 -61.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -45.75 -35.72 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.677 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -76.63 -64.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 93.4 m-20 -43.67 -53.65 5.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.566 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -45.35 -62.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -49.77 -53.98 21.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 44' ' ' THR . . . -48.4 -53.53 17.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' ASP . 8.7 mt -49.97 -61.04 2.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.566 HD11 HD22 ' A' ' 38' ' ' LEU . 20.8 mt -51.04 -40.24 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.75 -25.03 67.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 40' ' ' ALA . 67.6 p -110.48 12.29 22.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LEU . 2.4 t70 42.64 36.05 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.92 98.47 0.83 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -174.27 87.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 22' ' ' GLU . 2.3 p -44.66 -52.33 8.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.373 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -41.1 -66.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.75 -54.84 32.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.23 -46.29 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.378 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.1 mt -63.16 -54.11 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -54.69 -45.94 74.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -65.23 -57.81 7.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 mt -47.89 -57.72 5.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -61.6 1.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m -48.56 -57.2 6.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.31 112.21 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.22 95.67 9.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.02 119.48 4.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 47.36 97.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.0 p -162.36 141.09 9.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.17 157.28 12.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 119.82 5.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.033 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.6 m 58.19 98.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.051 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.0 m -138.16 94.61 2.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.061 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.938 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -75.76 100.75 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -92.97 96.74 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.61 -121.88 3.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.105 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 m 61.58 156.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -149.42 134.13 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.33 97.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 73.68 4.25 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.463 1.77 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -155.79 132.3 10.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.06 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -123.56 124.39 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.616 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.4 t -178.56 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' HG12 ' A' ' 17' ' ' VAL . 62.8 mt -121.9 -171.57 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 6.2 tt0 64.44 139.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.958 ' HB3' ' HB ' ' A' ' 17' ' ' VAL . . . 57.99 159.02 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.657 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.6 Cg_endo -74.9 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.687 ' CD ' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -52.54 -33.24 44.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.958 ' HB ' ' HB3' ' A' ' 14' ' ' ALA . 37.3 t -69.2 -19.62 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -96.5 -47.22 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 46' ' ' GLY . 19.9 m-85 -92.86 27.12 2.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -56.24 24.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -46.11 -33.47 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.24 -54.04 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.653 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 62.8 mmm -47.22 -33.29 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -45.48 47.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.592 1.182 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -46.82 88.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.7 mt -52.23 -50.93 61.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.72 -55.49 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.23 -53.17 5.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.604 1.19 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.5 mtm -56.34 -33.52 65.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 130.85 -11.56 5.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -69.93 74.48 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.784 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.2 m -68.23 -36.7 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -41.97 97.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 74.8 t80 -77.09 -63.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -43.0 -45.36 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -63.76 -61.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 97.9 m-20 -46.03 -55.48 6.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.687 HD11 ' CD ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -44.77 -60.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -56.66 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 44' ' ' THR . . . -45.2 -52.99 8.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 44' ' ' THR . 14.3 mt -50.93 -62.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.657 HD11 ' CB ' ' A' ' 15' ' ' PRO . 67.8 mt -50.2 -43.51 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.88 -25.23 67.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 40' ' ' ALA . 77.0 p -109.18 15.05 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 t0 48.24 38.22 9.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 80.46 91.66 0.47 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.614 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 14.6 t0 -162.9 120.38 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 0.815 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 p -72.17 -49.23 37.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -53.33 -59.05 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -54.46 -45.62 73.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.85 -60.01 4.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.3 mt -49.22 -50.02 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -53.89 52.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' HE2' HG22 ' A' ' 44' ' ' THR . 10.1 mttp -57.43 -53.67 55.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.6 mt -51.13 -61.51 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.17 -62.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.84 -59.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.64 -60.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -149.08 151.87 35.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.98 87.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -64.9 129.87 41.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.2 117.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.23 76.27 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.94 19.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 p -174.2 111.74 0.16 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 0.0 109.979 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.23 138.0 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.416 1.072 . . . . 0.0 111.015 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.676 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -46.35 -32.85 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.07 . . . . 0.0 110.233 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.76 -39.84 86.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' PRO . 3.6 ttt180 -71.71 -47.22 55.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.6 ' HB3' HD22 ' A' ' 41' ' ' LEU . 14.4 m-85 -102.1 34.21 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -66.86 -58.75 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -30.55 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 20' ' ' SER . 1.7 mp0 -79.21 -54.68 5.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.612 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 58.9 mmm -46.64 -32.32 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.25 -42.6 54.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -41.23 96.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.406 HD13 ' HB3' ' A' ' 37' ' ' ASN . 11.5 mt -57.36 -54.48 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -47.52 -52.55 17.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.249 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.63 -48.69 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -32.35 72.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.373 1.046 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 129.29 -12.53 6.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -69.34 75.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.9 m -69.94 -31.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 26.2 m120 -44.35 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.612 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 91.1 t80 -79.0 -63.67 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -46.03 -27.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -82.41 -64.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.406 ' HB3' HD13 ' A' ' 26' ' ' LEU . 95.6 m-20 -45.47 -53.22 9.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.597 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -44.12 -65.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -51.87 -50.58 60.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 44' ' ' THR . . . -50.93 -47.06 61.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 19' ' ' PHE . 7.9 mt -56.35 -57.12 13.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.676 HD11 ' CB ' ' A' ' 15' ' ' PRO . 38.2 mt -55.76 -27.35 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -76.37 -23.23 54.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 40' ' ' ALA . 64.2 p -112.15 11.16 20.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 44.89 49.62 9.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.57 77.61 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.549 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -151.17 108.26 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.646 ' O ' HD12 ' A' ' 52' ' ' ILE . 7.8 p -66.43 -59.3 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -41.09 -66.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -53.32 -53.52 49.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -43.87 -48.27 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.646 HD12 ' O ' ' A' ' 48' ' ' THR . 4.3 mt -64.48 -58.14 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -44.02 -44.19 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -67.64 -61.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 51' ' ' ALA . 4.5 mt -43.74 -61.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.99 -58.38 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.518 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.94 -0.446 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -46.74 -43.33 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.244 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.76 -36.91 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' PRO . 2.7 ttt180 -70.28 -58.43 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.233 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.462 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 11.4 m-85 -96.68 41.53 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -73.63 -52.05 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -25.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 20' ' ' SER . 4.4 mp0 -84.73 -54.57 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.304 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.64 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 58.0 mmm -45.56 -30.0 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.86 -43.74 24.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -40.52 93.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.302 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 29' ' ' MET . 5.1 mt -61.21 -59.54 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.559 ' NE2' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -40.07 -45.79 2.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 110.319 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.7 -49.86 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' LEU . 21.1 mtm -58.07 -34.04 69.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.417 ' O ' HG13 ' A' ' 32' ' ' VAL . . . 133.28 -12.76 4.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.432 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 47.0 m-85 -68.78 79.19 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.559 HG12 ' NE2' ' A' ' 27' ' ' GLN . 16.0 m -76.07 -18.49 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.728 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 12.8 p-10 -58.38 92.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.64 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 85.7 t80 -72.1 -62.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -46.06 -38.46 7.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.728 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -73.34 -63.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 31' ' ' PHE . 94.6 m-20 -44.61 -55.19 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.582 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -44.72 -60.66 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -49.61 -52.41 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.617 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -52.03 -54.6 28.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.505 HD12 ' SD ' ' A' ' 23' ' ' MET . 16.2 mt -47.16 -62.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.7 mt -49.86 -37.85 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -60.02 -32.27 70.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' LEU . 24.2 p -109.44 17.62 21.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 t70 42.02 47.94 3.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.462 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 78.69 80.2 0.75 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.642 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -153.24 100.39 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.757 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.644 ' O ' HD12 ' A' ' 52' ' ' ILE . 16.8 p -56.72 -59.85 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -42.55 -65.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -51.01 -53.19 35.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.381 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.84 -55.09 8.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 48' ' ' THR . 4.0 mt -54.76 -65.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -37.76 -46.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -63.94 -63.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.8 mt -43.54 -61.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.35 -61.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.219 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.147 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.056 -0.402 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -44.05 -43.18 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.69 -42.91 96.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' PRO . 11.3 ttm-85 -64.58 -54.71 27.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' HA3' ' A' ' 46' ' ' GLY . 15.0 m-85 -96.81 34.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' GLU . 7.1 p -69.14 -43.73 73.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.926 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -27.53 41.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.93 -52.34 6.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.678 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 56.8 mmm -45.41 -31.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.88 -48.54 20.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -41.38 77.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 108.278 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mt -58.42 -60.48 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -50.01 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.91 -52.6 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.1 mtm -57.11 -31.3 65.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 127.84 -10.62 6.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -70.47 75.17 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.9 m -69.06 -29.33 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.448 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 2.2 t-20 -47.16 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.678 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 84.6 t80 -76.3 -65.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.07 -42.29 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -68.52 -66.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 96.6 m-20 -43.02 -51.38 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.585 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -46.44 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -48.98 -54.87 13.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' THR . . . -46.13 -55.76 6.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD12 ' SD ' ' A' ' 23' ' ' MET . 23.4 mt -46.88 -54.5 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.585 HD11 HD22 ' A' ' 38' ' ' LEU . 7.4 mt -57.87 -40.99 78.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.37 -23.6 65.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.581 ' HB ' ' HB3' ' A' ' 50' ' ' ALA . 58.9 p -111.83 18.5 18.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.7 t0 41.13 68.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.487 ' HA3' ' CD1' ' A' ' 19' ' ' PHE . . . 47.49 80.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -156.11 106.07 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.666 ' O ' HD12 ' A' ' 52' ' ' ILE . 10.4 p -61.27 -51.36 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -43.36 -62.77 0.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.581 ' HB3' ' HB ' ' A' ' 44' ' ' THR . . . -55.34 -50.6 69.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.05 -52.11 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 48' ' ' THR . 4.1 mt -56.23 -63.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -42.25 -47.97 4.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -62.63 -61.83 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.7 mt -44.4 -62.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.77 -62.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.501 ' N ' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.29 -37.89 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.88 -38.32 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.8 tmt_? -75.0 -55.7 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -90.72 30.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' N ' ' A' ' 22' ' ' GLU . 1.3 p -65.26 -56.39 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -29.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 20' ' ' SER . 2.2 mp0 -80.44 -52.67 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.605 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 64.4 mmm -45.99 -36.53 5.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -49.56 44.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -52.91 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 108.24 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mt -45.63 -50.69 13.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -53.0 -55.93 19.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.23 -52.36 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.4 mtm -55.99 -34.47 65.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 133.35 -13.34 4.9 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -68.33 75.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' TYR . 23.6 m -71.49 -15.54 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.815 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 14.5 p-10 -60.06 84.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.605 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 87.0 t80 -67.16 -69.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -41.9 -47.83 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.815 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -63.38 -59.26 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 74.1 m-20 -44.57 -53.14 7.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.628 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -45.48 -69.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -44.55 -56.66 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 44' ' ' THR . . . -45.9 -54.93 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.6 mt -48.22 -60.06 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.628 HD11 HD22 ' A' ' 38' ' ' LEU . 11.3 mt -51.82 -43.34 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -22.36 64.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 40' ' ' ALA . 52.1 p -117.47 17.18 14.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' LEU . 11.0 t0 40.57 52.19 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.74 89.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 7.7 t0 -160.27 83.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.741 ' O ' HD12 ' A' ' 52' ' ' ILE . 67.9 p -38.69 -58.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -41.9 -65.58 0.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -52.68 -54.35 34.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.52 -52.0 10.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.418 1.074 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 48' ' ' THR . 3.9 mt -61.79 -56.93 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -46.73 -47.93 20.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -63.05 -63.42 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.7 mt -41.96 -61.34 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.65 -62.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.437 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.61 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -47.42 -39.29 15.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.1 -34.76 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -75.54 -54.39 7.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 110.374 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -90.42 25.07 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 111.068 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -58.02 -54.11 50.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.932 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -45.34 -37.93 5.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -71.59 -55.12 8.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.696 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 49.9 mmm -43.71 -34.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -52.65 10.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -39.22 71.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 23' ' ' MET . 21.6 mt -56.91 -55.34 35.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -48.56 -53.27 18.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.89 -48.15 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.7 mtm -61.98 -28.57 69.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 126.21 -12.56 7.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CD1' HD13 ' A' ' 55' ' ' LEU . 38.9 m-85 -68.19 71.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 26.4 m -64.23 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.42 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 8.7 m120 -43.93 96.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.696 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 43.8 t80 -81.07 -62.49 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -44.32 -30.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.292 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -80.76 -57.48 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 90.3 m-20 -44.25 -53.33 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -48.1 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -43.96 -53.42 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.237 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 44' ' ' THR . . . -53.15 -52.58 58.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' ASP . 16.0 mt -50.27 -57.11 8.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.25 -35.81 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.6 -23.06 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 40' ' ' ALA . 82.3 p -112.0 16.84 20.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.6 t70 42.26 32.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.09 98.5 0.54 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.53 1.144 . . . . 0.0 111.054 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 41.7 t0 -171.44 85.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -38.83 -52.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.18 -64.49 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -53.88 -50.57 66.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.69 -54.16 15.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 mt -54.07 -60.64 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -44.61 -51.27 9.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -58.44 -57.76 11.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.537 HD13 ' CD1' ' A' ' 31' ' ' PHE . 34.1 mt -50.32 -62.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.28 -61.91 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.6 m . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 109.979 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.459 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.067 -0.397 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -44.66 -36.69 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.168 . . . . 0.0 110.327 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.5 t -71.7 -40.82 70.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 14.6 ttt180 -63.68 -50.16 70.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 13.8 m-85 -105.08 45.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -77.54 -43.71 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.076 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -49.44 -32.16 11.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.733 ' HG2' HG23 ' A' ' 48' ' ' THR . 11.7 mp0 -79.21 -61.18 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.666 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 49.7 mmm -38.29 -36.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 111.059 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -48.95 53.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -61.64 -39.43 91.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 108.342 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 mt -56.52 -56.13 25.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -47.52 -55.19 9.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.98 -52.88 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.5 mtm -56.98 -33.73 67.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 131.65 -12.47 5.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -68.83 75.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 22.4 m -68.89 -38.52 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.845 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 2.2 m-20 -40.78 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.666 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 87.9 t80 -78.4 -65.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -43.63 -35.6 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.845 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -73.55 -66.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 96.5 m-20 -43.24 -54.23 4.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.475 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -43.6 -62.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -49.17 -59.34 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' THR . . . -44.27 -52.21 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.374 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ASP . 44.4 mt -51.17 -65.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.475 HD11 HD22 ' A' ' 38' ' ' LEU . 55.7 mt -47.1 -44.45 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.93 69.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 40' ' ' ALA . 51.3 p -106.02 17.46 23.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.357 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 21.9 m-20 41.19 47.2 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.02 87.5 0.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.458 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 2.2 t70 -157.15 85.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.733 HG23 ' HG2' ' A' ' 22' ' ' GLU . 2.3 p -47.28 -48.41 24.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -49.14 -66.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.444 1.09 . . . . 0.0 109.22 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -54.75 -49.97 69.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.95 -50.98 25.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 48' ' ' THR . 7.1 mt -57.74 -64.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -41.47 -48.22 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -60.22 -59.95 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.3 mt -45.8 -61.9 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.224 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.55 -61.98 0.96 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.226 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HB2' HD11 ' A' ' 42' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -49.51 -37.41 26.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.147 . . . . 0.0 110.259 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.3 t -73.93 -26.13 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -77.9 -40.01 41.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -112.16 23.04 14.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -57.49 -47.74 81.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -30.52 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -87.98 -30.15 20.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.709 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 59.3 mmm -66.71 -32.24 73.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -45.81 28.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -40.48 88.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.265 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 37' ' ' ASN . 10.5 mt -57.51 -52.3 65.95 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -49.78 -53.51 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.77 -51.45 12.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 56.6 mtm -58.44 -29.42 66.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 126.1 -11.13 7.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.56 74.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.413 0.714 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' TYR . 17.3 m -67.64 -31.77 53.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 36' ' ' ALA . 9.5 t-20 -45.94 96.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.709 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 91.8 t80 -77.91 -64.96 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -43.73 -36.32 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.464 ' HB3' ' CG ' ' A' ' 33' ' ' ASN . . . -73.62 -62.96 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.374 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB3' HD13 ' A' ' 26' ' ' LEU . 95.7 m-20 -44.86 -47.58 11.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.627 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -51.93 -65.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -48.7 -55.91 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.579 ' O ' HG23 ' A' ' 44' ' ' THR . . . -45.96 -54.81 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.384 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 mt -51.49 -57.67 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.627 HD11 HD22 ' A' ' 38' ' ' LEU . 54.4 mt -53.56 -33.39 22.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.369 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.13 -24.13 59.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 40' ' ' ALA . 66.1 p -109.49 16.82 21.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 45.98 30.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.95 96.32 0.7 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -170.6 90.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.633 ' C ' HD12 ' A' ' 52' ' ' ILE . 74.3 p -39.78 -56.22 1.79 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -40.88 -65.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.01 26.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.53 -55.69 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.633 HD12 ' C ' ' A' ' 48' ' ' THR . 3.8 mt -55.23 -57.44 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.04 -51.49 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -61.0 -61.96 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mt -42.79 -56.53 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.44 -62.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.194 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.984 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.001 -0.423 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.33 -42.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.12 -46.44 87.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 19' ' ' PHE . 24.0 ttt180 -56.49 -60.59 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 18' ' ' ARG . 7.1 m-85 -99.26 60.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.19 -55.0 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -41.0 -52.47 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.523 ' HG2' HG23 ' A' ' 48' ' ' THR . 4.1 mp0 -54.6 -56.38 19.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.71 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 50.0 mmm -45.73 -44.12 13.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.606 1.191 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -35.28 78.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -34.38 67.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 37' ' ' ASN . 52.7 mt -62.1 -56.89 14.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.6 OUTLIER -46.29 -52.36 12.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.21 -56.01 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.4 mtm -55.73 -33.5 64.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 131.66 -12.65 5.39 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 72.5 m-85 -67.46 73.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 0.74 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' TYR . 31.3 m -65.74 -40.19 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.75 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 66.4 m-20 -40.98 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.71 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 47.4 t80 -81.83 -62.28 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.482 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 5.9 m-20 -45.82 -26.18 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 109.232 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.75 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -84.46 -66.13 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.684 ' HB3' HD13 ' A' ' 26' ' ' LEU . 96.2 m-20 -41.9 -53.95 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.55 HD22 ' CD1' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.31 -68.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 40.8 mm-40 -38.93 -35.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 37' ' ' ASN . . . -71.68 -54.08 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.51 HD23 ' H ' ' A' ' 47' ' ' ASP . 33.3 mt -48.94 -57.6 6.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.55 ' CD1' HD22 ' A' ' 38' ' ' LEU . 79.2 mt -49.66 -41.86 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.82 69.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 40' ' ' ALA . 55.2 p -109.69 21.3 17.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' LEU . 11.6 m-20 40.47 38.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.89 86.85 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.566 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 2.9 t70 -154.9 116.94 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 52' ' ' ILE . 4.3 p -75.46 -52.21 11.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 110.438 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -47.32 -66.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.12 65.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -51.72 -57.68 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 48' ' ' THR . 4.5 mt -52.97 -66.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.88 -47.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -62.15 -59.76 4.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.9 mt -46.33 -54.81 8.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.99 -60.12 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.641 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -46.43 -38.67 9.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.0 t -68.26 -35.5 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.246 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' PRO . 27.4 ttm180 -72.75 -53.22 12.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CE1' ' HA3' ' A' ' 46' ' ' GLY . 14.7 m-85 -95.57 25.51 4.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.432 ' CA ' ' O ' ' A' ' 16' ' ' GLU . 1.1 p -56.1 -50.46 70.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -34.48 13.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.0 -51.17 14.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.524 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 75.5 mmm -47.18 -42.14 19.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -41.85 86.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.566 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -63.74 -52.36 60.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 37' ' ' ASN . 10.3 mt -47.98 -60.1 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' CD ' HG12 ' A' ' 32' ' ' VAL . 1.6 mm-40 -45.28 -45.87 12.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 25' ' ' CYS . . . -48.89 -50.57 34.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.8 mtt -59.64 -28.92 67.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 32' ' ' VAL . . . 128.26 -14.95 6.16 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -65.69 73.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' TYR . 35.1 m -69.36 -20.28 24.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.832 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 1.7 m-20 -56.55 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.783 ' CE2' HD12 ' A' ' 38' ' ' LEU . 88.7 t80 -66.68 -65.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' TYR . 6.2 t-20 -40.52 -42.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.832 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -64.85 -63.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.534 ' HB3' HD13 ' A' ' 26' ' ' LEU . 97.2 m-20 -47.13 -58.58 3.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.783 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -44.3 -60.84 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' ALA . 52.5 mm-40 -55.2 -62.79 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 44' ' ' THR . . . -40.37 -57.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' ASP . 18.3 mt -45.79 -63.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.407 HD11 HD22 ' A' ' 38' ' ' LEU . 44.2 mt -50.0 -42.17 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.37 -27.61 69.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 40' ' ' ALA . 60.3 p -108.15 14.27 25.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' LEU . 20.3 t0 48.17 59.06 4.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.534 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 60.85 77.72 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.572 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -145.35 121.56 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.517 ' O ' HD12 ' A' ' 52' ' ' ILE . 2.3 p -76.81 -47.03 22.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.44 -64.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -52.59 -48.7 66.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -50.88 -57.67 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 48' ' ' THR . 10.0 mt -52.75 -64.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.42 -49.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -61.28 -56.9 15.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.413 HD11 ' OD1' ' A' ' 37' ' ' ASN . 53.9 mt -49.07 -59.98 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -47.0 -56.75 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.959 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.842 0 N-CA-C 110.938 -0.447 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.581 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -43.02 -42.72 3.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.59 -42.17 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -63.92 -48.33 77.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 20.3 m-85 -103.74 35.18 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' GLU . 11.4 p -67.41 -45.34 76.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -54.0 -27.95 34.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.65 -50.65 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.37 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.664 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 55.8 mmm -50.24 -36.09 29.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 111.024 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -51.56 51.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.217 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -51.36 69.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 108.268 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -46.44 -53.53 10.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.359 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.49 -55.85 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.246 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.35 -53.28 5.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.2 mtt -55.49 -34.12 64.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 132.15 -12.06 5.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -68.96 72.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 21.8 m -66.93 -36.95 78.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.709 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -42.01 97.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.664 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 82.4 t80 -78.76 -63.51 1.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.61 -37.03 5.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.709 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -72.06 -63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -43.66 -55.77 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.705 HD22 HD11 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -43.81 -66.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -45.92 -66.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -42.78 -56.23 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' ASP . 7.3 mt -46.14 -62.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.705 HD11 HD22 ' A' ' 38' ' ' LEU . 16.4 mt -50.47 -41.54 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -61.38 -25.5 67.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' LEU . 74.4 p -110.67 8.58 22.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.4 m-20 46.91 74.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.482 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 48.85 76.58 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.063 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.77 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -143.55 101.32 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.699 ' O ' HD12 ' A' ' 52' ' ' ILE . 3.4 p -62.65 -64.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -41.05 -59.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.77 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -56.82 -49.74 74.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -49.82 -54.0 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 48' ' ' THR . 3.4 mt -54.31 -64.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -38.02 -48.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -64.77 -60.46 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mt -46.28 -39.94 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -56.16 25.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.944 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.552 ' OE2' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -43.69 -40.0 3.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.552 HG23 ' OE2' ' A' ' 16' ' ' GLU . 42.3 t -63.51 -42.33 95.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . 7.2 ttm180 -70.17 -41.89 73.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.234 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CE1' ' HD2' ' A' ' 18' ' ' ARG . 18.0 m-85 -106.02 36.56 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.2 p -71.09 -56.38 6.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -42.48 -30.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 19' ' ' PHE . 22.3 mp0 -79.19 -55.55 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.669 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 55.6 mmm -47.17 -37.54 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.36 -47.97 74.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -50.83 67.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.11 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -46.99 -50.17 19.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -54.44 -54.67 37.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.8 -49.19 10.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -33.72 69.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 134.02 -15.57 4.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.422 ' CE2' HG12 ' A' ' 52' ' ' ILE . 70.8 m-85 -66.26 73.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 0.802 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' TYR . 35.1 m -71.09 -24.62 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.697 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -55.59 89.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.669 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 82.0 t80 -67.52 -64.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -41.04 -53.51 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.697 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -56.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -44.04 -58.29 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.741 HD22 HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -40.63 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -47.0 -65.33 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 44' ' ' THR . . . -41.44 -62.01 0.94 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' ASP . 22.1 mt -40.56 -61.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.741 HD11 HD22 ' A' ' 38' ' ' LEU . 38.2 mt -49.62 -44.08 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -63.06 -26.47 68.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' LEU . 52.3 p -109.08 16.48 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' LEU . 13.7 m-20 42.81 51.94 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 19' ' ' PHE . . . 66.9 86.61 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.721 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -156.56 94.03 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 0.795 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.762 ' C ' HD12 ' A' ' 52' ' ' ILE . 66.3 p -46.61 -63.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -40.55 -67.04 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.721 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -47.44 -57.02 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.62 -56.51 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.762 HD12 ' C ' ' A' ' 48' ' ' THR . 3.9 mt -55.34 -63.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -37.37 -45.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -67.35 -60.64 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.0 mt -45.43 -60.69 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -61.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.94 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.708 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 110.919 -0.454 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.749 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -40.55 -43.63 1.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.17 -45.59 93.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' PRO . 37.9 ttt180 -65.14 -42.03 94.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 18.6 m-85 -107.2 41.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' ' 22' ' ' GLU . 1.8 p -75.79 -55.53 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -43.85 -27.64 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.542 ' HG2' HG23 ' A' ' 48' ' ' THR . 2.5 mp0 -81.65 -54.62 5.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.637 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.2 mmm -46.94 -36.89 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -43.21 88.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -47.15 73.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 108.345 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.5 mt -50.83 -51.32 52.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -51.87 -55.22 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.97 -52.29 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.39 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -34.56 65.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 133.1 -13.47 4.96 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 61.1 m-85 -68.16 73.26 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 25.4 m -67.76 -35.73 73.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 2.3 t-20 -43.84 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.637 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 86.5 t80 -75.14 -65.65 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.9 -49.64 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.8 -66.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 89.7 m-20 -40.63 -58.77 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -40.37 -66.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -39.7 -55.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.51 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -52.58 -57.05 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' ASP . 20.0 mt -44.16 -58.19 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.708 HD11 ' CB ' ' A' ' 15' ' ' PRO . 84.2 mt -57.46 -33.81 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -66.41 -26.05 67.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 40' ' ' ALA . 31.1 p -114.19 11.23 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER 46.83 54.94 8.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.559 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 73.5 76.43 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.582 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -149.5 99.24 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.345 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.733 ' O ' HD12 ' A' ' 52' ' ' ILE . 6.9 p -60.19 -62.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -41.32 -66.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.177 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.582 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -50.85 -52.6 39.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -46.93 -55.08 8.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 48' ' ' THR . 3.5 mt -54.4 -63.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -37.61 -48.66 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -61.05 -62.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.9 mt -44.91 -63.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.44 -61.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.946 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' SER . 11.2 tm-20 -40.91 -50.16 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.75 -42.93 82.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.5 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 14.0 ttt-85 -55.04 -60.97 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.5 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 16.8 m-85 -101.07 38.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 5.8 p -68.16 -52.34 35.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.55 -26.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.615 ' HG2' HG23 ' A' ' 48' ' ' THR . 3.2 mp0 -82.97 -48.79 10.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.777 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 54.2 mmm -54.33 -32.5 56.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.51 -37.48 68.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -54.39 13.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 37' ' ' ASN . 16.0 mt -44.53 -48.54 10.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -56.02 -54.25 47.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.95 -46.36 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.455 ' HE2' HG12 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -62.4 -30.8 71.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.975 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 128.76 -13.24 6.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -69.51 74.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.784 . . . . 0.0 111.033 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' TYR . 19.7 m -69.55 -21.46 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.7 t-20 -54.64 90.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.777 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 85.2 t80 -73.98 -67.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -40.45 -38.08 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.36 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.06 -63.34 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.468 ' HB3' HD13 ' A' ' 26' ' ' LEU . 89.4 m-20 -43.1 -53.47 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -48.79 -63.77 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -46.58 -55.37 7.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 44' ' ' THR . . . -49.88 -55.24 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 mt -48.47 -61.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.465 ' CD1' HD22 ' A' ' 38' ' ' LEU . 69.7 mt -52.86 -35.84 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.24 -24.39 63.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 40' ' ' ALA . 82.1 p -110.88 15.86 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 47.7 37.72 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.405 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 76.98 90.41 0.27 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -159.46 82.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.776 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.615 HG23 ' HG2' ' A' ' 22' ' ' GLU . 2.9 p -41.23 -41.33 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -53.45 -65.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.71 -44.65 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.76 -56.25 19.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 48' ' ' THR . 9.1 mt -52.1 -58.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -46.93 -53.62 11.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -57.58 -60.64 3.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.2 mt -42.81 -60.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -43.3 -62.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.067 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.714 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.945 -0.444 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.488 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -43.48 -40.21 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.18 -44.01 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.2 ttt180 -69.05 -43.21 75.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -109.48 48.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -47.81 9.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -49.62 -29.48 7.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HG2' HG23 ' A' ' 48' ' ' THR . 8.6 mp0 -79.39 -54.08 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.652 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.3 mmm -47.32 -32.52 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -47.69 57.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -62.21 -39.55 93.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 108.293 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.424 HD23 ' HE1' ' A' ' 29' ' ' MET . 91.2 mt -60.6 -62.17 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -44.11 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 25' ' ' CYS . . . -53.55 -52.14 60.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.424 ' HE1' HD23 ' A' ' 26' ' ' LEU . 24.5 mtm -55.0 -34.75 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.6 -10.27 4.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.086 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -69.18 76.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 0.802 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' TYR . 28.2 m -75.65 -17.98 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.429 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 3.0 m120 -60.58 84.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.652 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 63.9 t80 -65.25 -63.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -41.71 -49.68 4.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ASN . . . -63.73 -66.02 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 94.1 m-20 -40.6 -56.39 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.421 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -40.31 -67.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -43.48 -53.72 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.59 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -48.47 -62.47 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 44' ' ' THR . 40.8 mt -41.58 -62.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.714 HD11 ' CB ' ' A' ' 15' ' ' PRO . 88.7 mt -49.58 -39.0 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -62.19 -31.3 71.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 109.275 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LEU . 25.6 p -109.95 19.29 19.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 41.49 29.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 44' ' ' THR . . . 95.11 92.72 1.71 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 16.7 t0 -161.13 85.67 0.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.591 ' O ' HD12 ' A' ' 52' ' ' ILE . 3.2 p -46.25 -47.53 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -50.54 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -55.8 -46.12 78.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.61 -55.89 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 48' ' ' THR . 6.5 mt -54.12 -56.35 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -48.33 -51.73 24.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -60.35 -61.66 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.3 mt -44.6 -57.45 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -45.68 -60.49 2.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.931 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.785 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 110.991 -0.426 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.634 ' CD ' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -46.54 -34.96 5.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.3 t -73.31 -36.44 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' PRO . 27.2 ttt180 -75.3 -42.24 55.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.672 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 17.4 m-85 -105.39 31.22 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.64 -49.48 66.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -52.25 -28.62 19.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -80.27 -50.55 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.635 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.8 mmm -46.69 -36.29 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.3 -51.78 16.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -33.52 62.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 108.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.29 -51.63 50.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 32' ' ' VAL . 2.9 mm-40 -46.63 -50.13 18.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.48 -54.12 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -33.48 63.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.11 -11.45 5.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -68.92 75.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' HA ' ' NE2' ' A' ' 27' ' ' GLN . 27.8 m -72.57 -29.8 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -48.36 95.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 76.3 t80 -71.77 -64.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' TYR . 5.9 m-20 -39.87 -57.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.66 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -44.06 -60.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.634 HD11 ' CD ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -40.47 -59.01 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -55.07 -54.78 38.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -50.02 -55.73 13.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD12 ' SD ' ' A' ' 23' ' ' MET . 18.0 mt -45.8 -55.65 6.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.785 HD11 ' CB ' ' A' ' 15' ' ' PRO . 48.6 mt -59.04 -27.72 36.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -74.08 -22.37 59.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -116.03 11.63 15.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t0 48.8 58.55 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.672 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 65.79 75.38 0.42 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -145.0 121.61 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.651 ' C ' HD12 ' A' ' 52' ' ' ILE . 12.1 p -77.33 -59.42 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -42.24 -64.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -48.71 -54.72 13.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.62 -57.61 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.651 HD12 ' C ' ' A' ' 48' ' ' THR . 3.9 mt -49.22 -64.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -40.78 -53.89 2.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -58.22 -64.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.6 mt -41.37 -62.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.7 -61.51 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.931 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.893 0 N-CA-C 111.051 -0.403 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' SER . 14.5 tm-20 -41.02 -56.17 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -55.29 -38.69 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -63.77 -55.53 22.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -111.84 54.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.4 p -88.6 -52.97 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -45.87 -28.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.24 -54.42 5.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.682 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 46.8 mmm -47.38 -28.33 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.27 -38.89 41.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.442 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -67.07 -43.37 82.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.284 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 37' ' ' ASN . 21.7 mt -56.48 -62.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -38.74 -48.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 25' ' ' CYS . . . -48.48 -54.6 13.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 38.4 mtm -54.89 -30.82 59.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.76 -11.27 5.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 39.2 m-85 -69.02 78.67 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' TYR . 21.6 m -73.68 -27.73 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.635 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 85.7 m-20 -50.9 93.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE2' HD12 ' A' ' 38' ' ' LEU . 78.2 t80 -74.77 -65.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -42.7 -28.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.251 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -83.53 -66.11 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 31' ' ' PHE . 94.3 m-20 -41.57 -54.01 3.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.734 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -49.55 -68.13 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -40.88 -50.55 3.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -56.93 -56.28 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ASP . 31.8 mt -44.66 -60.95 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -50.92 -38.21 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -63.71 -31.64 72.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.3 p -109.74 19.4 19.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.453 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' LEU . 12.1 t0 40.42 50.74 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.76 80.27 0.48 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.55 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -151.56 92.83 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.708 ' C ' HD12 ' A' ' 52' ' ' ILE . 58.6 p -48.59 -60.32 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -40.4 -66.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -48.34 -54.3 14.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.44 -58.0 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.708 HD12 ' C ' ' A' ' 48' ' ' THR . 3.6 mt -52.83 -59.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -45.0 -52.63 8.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -58.85 -62.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' LYS . 20.8 mt -42.67 -63.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' LEU . 6.0 mtmt -40.61 -60.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.939 0 N-CA-C 111.009 -0.42 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.497 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -38.89 -41.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.07 -51.21 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 9.5 ttt180 -56.01 -57.21 13.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.248 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 11.9 m-85 -97.81 57.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -89.92 -55.57 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.05 -34.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.237 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -73.8 -59.87 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.666 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 44.7 mmm -42.15 -40.51 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -43.17 94.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -67.16 -46.59 73.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.071 . . . . 0.0 108.285 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.4 mt -50.46 -54.55 21.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.212 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -48.92 -56.75 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.8 -49.77 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -34.62 69.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 135.05 -15.66 4.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -67.16 75.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' TYR . 31.8 m -71.85 -28.01 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.463 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.1 m120 -53.37 91.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.666 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 77.6 t80 -71.19 -64.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -42.19 -41.64 2.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -69.02 -66.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.223 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 94.6 m-20 -40.68 -58.79 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -40.19 -66.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -44.5 -46.6 9.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -57.87 -55.82 29.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.4 mt -46.88 -62.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.3 mt -48.5 -42.91 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -60.23 -31.4 70.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 41' ' ' LEU . 60.9 p -107.29 15.6 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.384 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' LEU . 19.0 t0 40.18 53.77 2.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.497 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 74.51 83.89 0.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -159.92 114.78 2.33 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.723 ' O ' HD12 ' A' ' 52' ' ' ILE . 11.5 p -71.37 -60.09 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -41.55 -66.83 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -51.19 -53.26 36.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -46.57 -54.06 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 48' ' ' THR . 3.8 mt -55.82 -62.13 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -40.1 -48.87 2.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.06 -59.86 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 mt -47.27 -63.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.46 -61.46 1.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 110.946 -0.444 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -44.67 -39.37 5.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.2 t -70.23 -38.12 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -66.4 -61.16 2.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.476 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 7.2 m-85 -97.46 57.64 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.0 -54.34 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -45.15 -33.75 2.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG2' HG23 ' A' ' 48' ' ' THR . 4.3 mp0 -73.71 -57.02 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.715 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 41.2 mmm -44.03 -40.86 5.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -41.32 96.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -35.51 81.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.331 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 23' ' ' MET . 65.8 mt -61.16 -63.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -38.97 -52.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.8 -55.98 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.8 mtt -55.3 -33.65 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 130.3 -10.66 5.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.421 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 64.6 m-85 -69.5 74.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.474 0.749 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.7 m -65.87 -39.37 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.449 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.3 m-80 -40.98 97.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.715 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 46.5 t80 -82.23 -61.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.463 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 1.6 t-20 -45.55 -26.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.96 -66.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.588 ' HB3' HD13 ' A' ' 26' ' ' LEU . 96.5 m-20 -41.01 -53.27 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.494 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -51.29 -62.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 14.9 mm-40 -44.64 -35.94 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' ASN . . . -71.23 -54.55 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 47' ' ' ASP . 19.3 mt -46.52 -57.76 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.432 HD11 ' CB ' ' A' ' 15' ' ' PRO . 81.2 mt -51.07 -44.63 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.44 -24.39 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 40' ' ' ALA . 78.1 p -110.27 17.86 20.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.438 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t0 41.24 41.91 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.476 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 83.11 91.25 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.155 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.491 ' H ' HD23 ' A' ' 41' ' ' LEU . 2.2 t70 -165.83 111.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.366 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.613 ' O ' HD12 ' A' ' 52' ' ' ILE . 8.9 p -69.02 -51.45 38.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -44.75 -65.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.38 -50.01 66.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.28 -54.06 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 48' ' ' THR . 5.0 mt -57.09 -58.79 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -47.53 -45.91 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -63.1 -57.33 10.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.9 mt -48.78 -60.01 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.82 -61.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.523 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.016 -0.417 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.461 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -49.54 -24.91 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.8 t -75.12 -34.53 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' PRO . 29.9 ttm180 -81.61 -33.29 31.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.429 ' HB3' HD22 ' A' ' 41' ' ' LEU . 31.0 m-85 -108.43 30.3 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -64.23 -55.45 21.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -36.52 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.464 ' HG2' HG23 ' A' ' 48' ' ' THR . 2.0 mp0 -73.61 -59.81 2.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.697 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 55.6 mmm -41.78 -41.74 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -47.25 74.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -46.66 89.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.1 mt -53.82 -48.54 69.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -49.2 68.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.76 -52.0 15.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.0 mtm -56.66 -34.03 66.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.422 ' O ' HG13 ' A' ' 32' ' ' VAL . . . 135.01 -15.61 4.27 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -65.52 78.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 30' ' ' GLY . 32.0 m -76.94 -20.05 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.677 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 1.2 t-20 -57.67 91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.697 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 74.4 t80 -72.71 -61.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -45.75 -35.72 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.677 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -76.63 -64.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 93.4 m-20 -43.67 -53.65 5.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.566 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -45.35 -62.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -49.77 -53.98 21.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 44' ' ' THR . . . -48.4 -53.53 17.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' ASP . 8.7 mt -49.97 -61.04 2.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.566 HD11 HD22 ' A' ' 38' ' ' LEU . 20.8 mt -51.04 -40.24 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.75 -25.03 67.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 40' ' ' ALA . 67.6 p -110.48 12.29 22.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LEU . 2.4 t70 42.64 36.05 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.92 98.47 0.83 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -174.27 87.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 22' ' ' GLU . 2.3 p -44.66 -52.33 8.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.373 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -41.1 -66.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.75 -54.84 32.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.23 -46.29 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.378 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.1 mt -63.16 -54.11 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -54.69 -45.94 74.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -65.23 -57.81 7.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 mt -47.89 -57.72 5.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -61.6 1.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.657 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.6 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.687 ' CD ' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -52.54 -33.24 44.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.3 t -69.2 -19.62 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -96.5 -47.22 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 46' ' ' GLY . 19.9 m-85 -92.86 27.12 2.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -56.24 24.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -46.11 -33.47 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.24 -54.04 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.653 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 62.8 mmm -47.22 -33.29 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -45.48 47.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.592 1.182 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -46.82 88.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.7 mt -52.23 -50.93 61.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.72 -55.49 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.23 -53.17 5.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.604 1.19 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.5 mtm -56.34 -33.52 65.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 130.85 -11.56 5.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -69.93 74.48 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.784 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.2 m -68.23 -36.7 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -41.97 97.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 74.8 t80 -77.09 -63.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -43.0 -45.36 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -63.76 -61.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 97.9 m-20 -46.03 -55.48 6.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.687 HD11 ' CD ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -44.77 -60.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -56.66 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 44' ' ' THR . . . -45.2 -52.99 8.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 44' ' ' THR . 14.3 mt -50.93 -62.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.657 HD11 ' CB ' ' A' ' 15' ' ' PRO . 67.8 mt -50.2 -43.51 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.88 -25.23 67.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 40' ' ' ALA . 77.0 p -109.18 15.05 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 t0 48.24 38.22 9.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 80.46 91.66 0.47 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.614 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 14.6 t0 -162.9 120.38 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 0.815 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 p -72.17 -49.23 37.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -53.33 -59.05 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -54.46 -45.62 73.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.85 -60.01 4.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.3 mt -49.22 -50.02 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -53.89 52.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.465 ' HE2' HG22 ' A' ' 44' ' ' THR . 10.1 mttp -57.43 -53.67 55.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.6 mt -51.13 -61.51 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.17 -62.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.84 114.06 18.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.044 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 119.82 14.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.42 -151.81 52.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.7 m 62.17 109.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.022 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.3 118.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.048 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.92 -167.26 19.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 169.57 22.32 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.9 t -101.67 109.79 21.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.98 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -69.3 -60.53 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 p -178.68 131.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.2 mt 65.8 85.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -119.84 164.17 16.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.78 155.33 11.46 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.676 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.98 -64.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.558 1.82 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -46.35 -32.85 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.07 . . . . 0.0 110.233 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 t -65.76 -39.84 86.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 15' ' ' PRO . 3.6 ttt180 -71.71 -47.22 55.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.6 ' HB3' HD22 ' A' ' 41' ' ' LEU . 14.4 m-85 -102.1 34.21 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -66.86 -58.75 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.63 -30.55 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 20' ' ' SER . 1.7 mp0 -79.21 -54.68 5.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.118 . . . . 0.0 110.314 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.612 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 58.9 mmm -46.64 -32.32 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.25 -42.6 54.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.265 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -41.23 96.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.406 HD13 ' HB3' ' A' ' 37' ' ' ASN . 11.5 mt -57.36 -54.48 46.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -47.52 -52.55 17.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.249 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.63 -48.69 10.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -32.35 72.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.373 1.046 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 129.29 -12.53 6.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -69.34 75.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.9 m -69.94 -31.65 48.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 26.2 m120 -44.35 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.612 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 91.1 t80 -79.0 -63.67 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -46.03 -27.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -82.41 -64.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.406 ' HB3' HD13 ' A' ' 26' ' ' LEU . 95.6 m-20 -45.47 -53.22 9.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.597 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -44.12 -65.35 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -51.87 -50.58 60.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 44' ' ' THR . . . -50.93 -47.06 61.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.6 HD22 ' HB3' ' A' ' 19' ' ' PHE . 7.9 mt -56.35 -57.12 13.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.235 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.676 HD11 ' CB ' ' A' ' 15' ' ' PRO . 38.2 mt -55.76 -27.35 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -76.37 -23.23 54.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 40' ' ' ALA . 64.2 p -112.15 11.16 20.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.426 1.079 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 44.89 49.62 9.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.57 77.61 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.549 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -151.17 108.26 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.646 ' O ' HD12 ' A' ' 52' ' ' ILE . 7.8 p -66.43 -59.3 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -41.09 -66.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -53.32 -53.52 49.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -43.87 -48.27 8.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.646 HD12 ' O ' ' A' ' 48' ' ' THR . 4.3 mt -64.48 -58.14 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -44.02 -44.19 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -67.64 -61.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 51' ' ' ALA . 4.5 mt -43.74 -61.92 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.99 -58.38 2.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.27 -56.37 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.61 126.69 14.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 109.949 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -120.32 79.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.64 1.212 . . . . 0.0 110.257 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -149.99 75.92 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 51.56 98.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.9 t -148.53 -58.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 109.948 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 166.01 96.91 0.11 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 107.16 2.42 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.3 m -136.43 110.72 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.968 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -134.69 168.21 19.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.964 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.62 98.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 110.035 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.09 96.13 9.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.0 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.92 115.69 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -108.4 88.89 2.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 m -80.15 103.0 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.024 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.38 -85.51 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -59.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.417 1.746 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 m -53.9 152.74 5.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -83.45 154.85 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.637 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.2 t -120.44 87.26 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 tt -154.88 83.16 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -111.74 151.44 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . . . -51.24 154.59 2.77 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.518 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.3 Cg_endo -74.99 -63.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.479 1.779 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -46.74 -43.33 17.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.244 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 14' ' ' ALA . 85.1 t -56.76 -36.91 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' PRO . 2.7 ttt180 -70.28 -58.43 3.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.233 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.462 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 11.4 m-85 -96.68 41.53 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -73.63 -52.05 14.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.043 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.32 -25.41 0.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 20' ' ' SER . 4.4 mp0 -84.73 -54.57 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.162 . . . . 0.0 110.304 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.64 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 58.0 mmm -45.56 -30.0 1.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.86 -43.74 24.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -40.52 93.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.302 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 29' ' ' MET . 5.1 mt -61.21 -59.54 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.559 ' NE2' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -40.07 -45.79 2.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.118 . . . . 0.0 110.319 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.7 -49.86 56.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 0.0 109.342 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 26' ' ' LEU . 21.1 mtm -58.07 -34.04 69.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' O ' HG13 ' A' ' 32' ' ' VAL . . . 133.28 -12.76 4.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.432 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 47.0 m-85 -68.78 79.19 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 0.796 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.559 HG12 ' NE2' ' A' ' 27' ' ' GLN . 16.0 m -76.07 -18.49 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.353 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.728 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 12.8 p-10 -58.38 92.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.354 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.64 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 85.7 t80 -72.1 -62.1 1.55 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.944 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -46.06 -38.46 7.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.728 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -73.34 -63.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 31' ' ' PHE . 94.6 m-20 -44.61 -55.19 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.582 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -44.72 -60.66 1.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -49.61 -52.41 30.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.617 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -52.03 -54.6 28.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.505 HD12 ' SD ' ' A' ' 23' ' ' MET . 16.2 mt -47.16 -62.22 1.52 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.7 mt -49.86 -37.85 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -60.02 -32.27 70.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 41' ' ' LEU . 24.2 p -109.44 17.62 21.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.8 t70 42.02 47.94 3.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.462 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 78.69 80.2 0.75 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.642 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -153.24 100.39 2.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 0.757 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.644 ' O ' HD12 ' A' ' 52' ' ' ILE . 16.8 p -56.72 -59.85 4.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.495 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -42.55 -65.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -51.01 -53.19 35.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.381 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.84 -55.09 8.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 48' ' ' THR . 4.0 mt -54.76 -65.93 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -37.76 -46.99 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.1 mttm -63.94 -63.36 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 45.8 mt -43.54 -61.86 1.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.368 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -42.35 -61.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.219 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.94 -58.03 1.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.147 . . . . 0.0 109.99 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.27 155.19 29.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.15 154.93 16.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.78 116.32 0.89 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.458 1.099 . . . . 0.0 111.06 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -68.35 97.52 0.75 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 0.819 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.15 136.82 7.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.007 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -52.41 157.27 3.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 120.33 6.04 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.073 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.75 92.15 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.926 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.8 m -108.37 135.25 49.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.614 1.196 . . . . 0.0 110.968 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t -130.18 85.8 2.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 0.812 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.24 81.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.65 130.76 2.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -87.21 91.09 8.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.57 0.806 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -61.4 -59.06 5.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.025 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.09 97.16 2.01 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.412 1.07 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.43 42.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.541 1.811 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 m 63.54 121.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.994 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -48.3 148.09 2.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.077 . . . . 0.0 109.606 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.16 88.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -173.11 100.95 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -134.41 159.82 39.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.83 154.56 1.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.98 -65.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 0.0 111.056 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -44.05 -43.18 6.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.328 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.69 -42.91 96.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' PRO . 11.3 ttm-85 -64.58 -54.71 27.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.487 ' CD1' ' HA3' ' A' ' 46' ' ' GLY . 15.0 m-85 -96.81 34.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' GLU . 7.1 p -69.14 -43.73 73.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.926 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -27.53 41.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -82.93 -52.34 6.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.678 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 56.8 mmm -45.41 -31.69 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.88 -48.54 20.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -41.38 77.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 108.278 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.7 mt -58.42 -60.48 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -50.01 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.91 -52.6 14.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 19.1 mtm -57.11 -31.3 65.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 127.84 -10.62 6.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.522 1.138 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -70.47 75.17 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 0.801 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.9 m -69.06 -29.33 42.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.448 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 2.2 t-20 -47.16 95.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.678 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 84.6 t80 -76.3 -65.55 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.07 -42.29 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -68.52 -66.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 96.6 m-20 -43.02 -51.38 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.585 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -46.44 -68.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -48.98 -54.87 13.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' THR . . . -46.13 -55.76 6.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD12 ' SD ' ' A' ' 23' ' ' MET . 23.4 mt -46.88 -54.5 9.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.585 HD11 HD22 ' A' ' 38' ' ' LEU . 7.4 mt -57.87 -40.99 78.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.37 -23.6 65.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.257 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.581 ' HB ' ' HB3' ' A' ' 50' ' ' ALA . 58.9 p -111.83 18.5 18.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.396 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' LEU . 6.7 t0 41.13 68.64 0.41 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.487 ' HA3' ' CD1' ' A' ' 19' ' ' PHE . . . 47.49 80.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -156.11 106.07 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.666 ' O ' HD12 ' A' ' 52' ' ' ILE . 10.4 p -61.27 -51.36 69.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -43.36 -62.77 0.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.581 ' HB3' ' HB ' ' A' ' 44' ' ' THR . . . -55.34 -50.6 69.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.05 -52.11 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 48' ' ' THR . 4.1 mt -56.23 -63.74 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -42.25 -47.97 4.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -62.63 -61.83 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.7 mt -44.4 -62.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.77 -62.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.12 -57.69 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.18 -61.17 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -154.23 130.07 10.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.354 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.7 142.74 5.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 47.58 97.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.753 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.7 m -133.56 97.89 4.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.63 157.7 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.45 7.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.409 1.741 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -104.89 -60.17 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.2 98.3 6.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.954 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m -122.63 93.7 4.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 0.755 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.84 104.16 11.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.964 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.66 -179.56 15.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.59 151.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -166.5 127.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.981 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.05 80.4 1.46 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 107.06 2.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.35 88.04 2.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.9 -59.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.562 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.3 p -102.23 169.82 8.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.87 167.33 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -168.74 161.0 10.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.256 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.18 154.18 0.81 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.0 Cg_endo -75.1 -64.05 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' N ' HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -46.29 -37.89 7.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.0 t -61.88 -38.32 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.8 tmt_? -75.0 -55.7 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -90.72 30.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.98 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' N ' ' A' ' 22' ' ' GLU . 1.3 p -65.26 -56.39 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -29.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 20' ' ' SER . 2.2 mp0 -80.44 -52.67 7.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.605 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 64.4 mmm -45.99 -36.53 5.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.89 -49.56 44.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.2 -52.91 63.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 108.24 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mt -45.63 -50.69 13.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -53.0 -55.93 19.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.246 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.23 -52.36 5.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 1.4 mtm -55.99 -34.47 65.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 133.35 -13.34 4.9 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -68.33 75.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 0.808 . . . . 0.0 111.023 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' TYR . 23.6 m -71.49 -15.54 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.815 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . 14.5 p-10 -60.06 84.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.605 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 87.0 t80 -67.16 -69.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -41.9 -47.83 4.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.815 ' HB3' ' HB2' ' A' ' 33' ' ' ASN . . . -63.38 -59.26 4.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.402 ' CG ' ' O ' ' A' ' 33' ' ' ASN . 74.1 m-20 -44.57 -53.14 7.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.628 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -45.48 -69.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -44.55 -56.66 4.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 44' ' ' THR . . . -45.9 -54.93 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 45' ' ' ASP . 30.6 mt -48.22 -60.06 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.628 HD11 HD22 ' A' ' 38' ' ' LEU . 11.3 mt -51.82 -43.34 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.02 -22.36 64.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 40' ' ' ALA . 52.1 p -117.47 17.18 14.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.437 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 41' ' ' LEU . 11.0 t0 40.57 52.19 3.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 66.74 89.74 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.552 1.157 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 7.7 t0 -160.27 83.2 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.741 ' O ' HD12 ' A' ' 52' ' ' ILE . 67.9 p -38.69 -58.03 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -41.9 -65.58 0.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.52 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -52.68 -54.35 34.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -45.52 -52.0 10.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.418 1.074 . . . . 0.0 109.335 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 48' ' ' THR . 3.9 mt -61.79 -56.93 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -46.73 -47.93 20.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -63.05 -63.42 1.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 38.7 mt -41.96 -61.34 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -41.65 -62.03 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -40.44 -58.06 1.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.8 p -67.34 167.5 12.34 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.465 1.103 . . . . 0.0 110.078 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -110.22 169.03 9.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.32 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.56 128.11 1.17 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -78.34 151.64 32.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 0.704 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.1 p -142.64 167.46 22.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 110.01 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.82 -157.77 33.62 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 88.63 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.4 p -168.13 128.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.942 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.5 t -50.0 102.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p 60.4 85.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.09 -58.35 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.944 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.9 -101.29 0.21 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 111.093 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 74.58 -57.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.07 117.85 35.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.95 157.26 27.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.118 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 158.62 42.13 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -85.36 98.79 10.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 64.62 95.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.2 p -136.51 172.07 13.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.04 -107.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 66.06 158.75 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 154.05 11.44 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.437 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 18.4 Cg_endo -74.94 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.482 1.78 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.61 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -47.42 -39.29 15.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.1 -34.76 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -75.54 -54.39 7.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.185 . . . . 0.0 110.374 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -90.42 25.07 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 111.068 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 p -58.02 -54.11 50.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.932 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -45.34 -37.93 5.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -71.59 -55.12 8.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.696 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 49.9 mmm -43.71 -34.48 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.8 -52.65 10.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -39.22 71.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 23' ' ' MET . 21.6 mt -56.91 -55.34 35.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -48.56 -53.27 18.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.89 -48.15 21.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.7 mtm -61.98 -28.57 69.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 126.21 -12.56 7.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CD1' HD13 ' A' ' 55' ' ' LEU . 38.9 m-85 -68.19 71.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.998 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 26.4 m -64.23 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.42 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 8.7 m120 -43.93 96.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.696 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 43.8 t80 -81.07 -62.49 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -44.32 -30.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.414 1.071 . . . . 0.0 109.292 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -80.76 -57.48 3.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 90.3 m-20 -44.25 -53.33 6.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -48.1 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -43.96 -53.42 6.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.237 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 44' ' ' THR . . . -53.15 -52.58 58.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' ASP . 16.0 mt -50.27 -57.11 8.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.25 -35.81 31.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.6 -23.06 60.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 40' ' ' ALA . 82.3 p -112.0 16.84 20.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.6 t70 42.26 32.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 83.09 98.5 0.54 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.53 1.144 . . . . 0.0 111.054 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 41.7 t0 -171.44 85.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 0.73 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.3 p -38.83 -52.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.18 -64.49 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -53.88 -50.57 66.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.69 -54.16 15.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.4 mt -54.07 -60.64 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -44.61 -51.27 9.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -58.44 -57.76 11.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.537 HD13 ' CD1' ' A' ' 31' ' ' PHE . 34.1 mt -50.32 -62.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -44.28 -61.91 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.6 m -44.31 -60.31 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 109.979 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.6 p -101.37 86.86 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -60.2 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.8 -116.52 4.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.44 142.71 6.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.989 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.5 p -137.42 123.52 20.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.037 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -70.57 -160.58 3.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 146.68 32.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.5 m -159.03 130.4 6.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.95 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.8 p -44.27 161.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.162 . . . . 0.0 109.999 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.911 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.3 -58.56 2.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.4 m -121.13 159.98 24.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.07 78.24 0.58 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.562 1.163 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 p -168.67 127.41 1.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.741 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -142.93 123.33 13.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.13 -165.52 12.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.054 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 99.73 1.29 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.475 1.776 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.88 -57.2 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.004 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -98.9 -60.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.4 p -56.81 169.89 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 mt 56.65 175.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -82.65 154.82 24.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.31 154.82 0.38 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.459 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.4 Cg_endo -74.94 -64.83 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.545 1.813 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -44.66 -36.69 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.168 . . . . 0.0 110.327 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.5 t -71.7 -40.82 70.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 14.6 ttt180 -63.68 -50.16 70.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 13.8 m-85 -105.08 45.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -77.54 -43.71 31.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.076 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -49.44 -32.16 11.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.733 ' HG2' HG23 ' A' ' 48' ' ' THR . 11.7 mp0 -79.21 -61.18 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.666 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 49.7 mmm -38.29 -36.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 111.059 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -48.95 53.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -61.64 -39.43 91.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.417 1.073 . . . . 0.0 108.342 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.5 mt -56.52 -56.13 25.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -47.52 -55.19 9.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.98 -52.88 5.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.5 mtm -56.98 -33.73 67.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 131.65 -12.47 5.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.472 1.108 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -68.83 75.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 22.4 m -68.89 -38.52 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.845 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 2.2 m-20 -40.78 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.666 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 87.9 t80 -78.4 -65.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -43.63 -35.6 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.845 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -73.55 -66.01 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 96.5 m-20 -43.24 -54.23 4.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.475 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -43.6 -62.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -49.17 -59.34 3.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.492 ' O ' HG23 ' A' ' 44' ' ' THR . . . -44.27 -52.21 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.374 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 45' ' ' ASP . 44.4 mt -51.17 -65.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.475 HD11 HD22 ' A' ' 38' ' ' LEU . 55.7 mt -47.1 -44.45 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.93 69.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 40' ' ' ALA . 51.3 p -106.02 17.46 23.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.357 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 41' ' ' LEU . 21.9 m-20 41.19 47.2 2.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 77.02 87.5 0.36 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.143 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.458 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 2.2 t70 -157.15 85.75 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 0.73 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.733 HG23 ' HG2' ' A' ' 22' ' ' GLU . 2.3 p -47.28 -48.41 24.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -49.14 -66.91 0.32 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.444 1.09 . . . . 0.0 109.22 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -54.75 -49.97 69.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.95 -50.98 25.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.231 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 48' ' ' THR . 7.1 mt -57.74 -64.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -41.47 -48.22 3.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -60.22 -59.95 4.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.3 mt -45.8 -61.9 1.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 109.224 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -41.55 -61.98 0.96 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.226 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.0 m -40.5 -60.3 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.1 t -108.0 96.5 6.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -137.33 96.07 3.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.88 91.58 1.0 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -55.55 106.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.75 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.8 p -93.62 162.64 13.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.04 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.04 97.68 2.5 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.474 1.108 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.96 11.9 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.3 t 46.31 81.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 40.0 t -139.07 -57.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.042 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t 55.24 83.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.043 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -169.04 166.17 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.955 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.53 -129.54 1.13 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.436 1.085 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 p -176.89 153.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 0.796 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.92 101.06 2.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.011 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.24 157.68 15.59 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.465 1.103 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 78.85 2.77 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 t -97.61 -57.97 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 110.021 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 44.11 80.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.6 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.7 t 39.91 89.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 59.85 -107.1 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -111.19 148.2 33.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.416 1.072 . . . . 0.0 110.295 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.93 150.79 5.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.514 ' HB2' HD11 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -74.98 -58.44 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -49.51 -37.41 26.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.147 . . . . 0.0 110.259 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.3 t -73.93 -26.13 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -77.9 -40.01 41.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -112.16 23.04 14.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.0 OUTLIER -57.49 -47.74 81.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.984 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -30.52 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -87.98 -30.15 20.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.709 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 59.3 mmm -66.71 -32.24 73.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.59 -45.81 28.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 110.253 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.74 -40.48 88.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 108.265 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 37' ' ' ASN . 10.5 mt -57.51 -52.3 65.95 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.546 1.154 . . . . 0.0 109.244 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -49.78 -53.51 24.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.77 -51.45 12.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 56.6 mtm -58.44 -29.42 66.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 126.1 -11.13 7.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.44 1.088 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -70.56 74.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.413 0.714 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' TYR . 17.3 m -67.64 -31.77 53.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 36' ' ' ALA . 9.5 t-20 -45.94 96.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.709 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 91.8 t80 -77.91 -64.96 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -43.73 -36.32 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' HB3' ' CG ' ' A' ' 33' ' ' ASN . . . -73.62 -62.96 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.374 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.498 ' HB3' HD13 ' A' ' 26' ' ' LEU . 95.7 m-20 -44.86 -47.58 11.12 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.627 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -51.93 -65.3 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -48.7 -55.91 10.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.579 ' O ' HG23 ' A' ' 44' ' ' THR . . . -45.96 -54.81 7.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.384 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 mt -51.49 -57.67 8.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.627 HD11 HD22 ' A' ' 38' ' ' LEU . 54.4 mt -53.56 -33.39 22.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 109.369 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.13 -24.13 59.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 40' ' ' ALA . 66.1 p -109.49 16.82 21.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 45.98 30.17 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.95 96.32 0.7 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -170.6 90.3 0.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.633 ' C ' HD12 ' A' ' 52' ' ' ILE . 74.3 p -39.78 -56.22 1.79 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -40.88 -65.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.65 -54.01 26.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.53 -55.69 8.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.633 HD12 ' C ' ' A' ' 48' ' ' THR . 3.8 mt -55.23 -57.44 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -48.04 -51.49 23.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -61.0 -61.96 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 mt -42.79 -56.53 3.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.44 -62.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.194 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t -43.75 -58.86 2.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.984 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.86 115.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.57 79.11 9.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.34 -108.78 3.34 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -153.86 113.57 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 0.788 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 t -158.5 147.23 18.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.77 96.15 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 163.81 34.63 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.453 1.765 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.8 p -46.07 130.09 9.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.4 t -101.05 112.54 25.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 m -158.64 152.17 23.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 109.989 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -139.38 159.82 41.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.77 -158.02 8.58 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.86 170.04 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.74 . . . . 0.0 109.935 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -111.32 -58.2 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.971 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.15 96.45 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 170.58 20.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.457 1.767 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.5 159.68 0.56 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.16 . . . . 0.0 109.999 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -151.53 88.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.592 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.8 171.01 7.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mt -90.0 102.72 15.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -139.93 158.91 43.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.39 153.85 1.7 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.5 Cg_endo -74.98 -68.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.761 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.33 -42.22 1.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.12 -46.44 87.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 19' ' ' PHE . 24.0 ttt180 -56.49 -60.59 3.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 18' ' ' ARG . 7.1 m-85 -99.26 60.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.19 -55.0 3.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -41.0 -52.47 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.523 ' HG2' HG23 ' A' ' 48' ' ' THR . 4.1 mp0 -54.6 -56.38 19.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.71 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 50.0 mmm -45.73 -44.12 13.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.606 1.191 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -35.28 78.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -34.38 67.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 108.262 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' A' ' 37' ' ' ASN . 52.7 mt -62.1 -56.89 14.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.6 OUTLIER -46.29 -52.36 12.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.21 -56.01 3.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 21.4 mtm -55.73 -33.5 64.3 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 131.66 -12.65 5.39 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 72.5 m-85 -67.46 73.7 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 0.74 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' TYR . 31.3 m -65.74 -40.19 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.75 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 66.4 m-20 -40.98 97.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.71 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 47.4 t80 -81.83 -62.28 1.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.482 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 5.9 m-20 -45.82 -26.18 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.14 . . . . 0.0 109.232 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.75 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -84.46 -66.13 0.93 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.684 ' HB3' HD13 ' A' ' 26' ' ' LEU . 96.2 m-20 -41.9 -53.95 3.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.55 HD22 ' CD1' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -49.31 -68.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 40.8 mm-40 -38.93 -35.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 37' ' ' ASN . . . -71.68 -54.08 11.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.51 HD23 ' H ' ' A' ' 47' ' ' ASP . 33.3 mt -48.94 -57.6 6.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.55 ' CD1' HD22 ' A' ' 38' ' ' LEU . 79.2 mt -49.66 -41.86 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.07 -27.82 69.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 40' ' ' ALA . 55.2 p -109.69 21.3 17.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' LEU . 11.6 m-20 40.47 38.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.345 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.89 86.85 1.16 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.566 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 2.9 t70 -154.9 116.94 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 52' ' ' ILE . 4.3 p -75.46 -52.21 11.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 110.438 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -47.32 -66.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.03 -47.12 65.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -51.72 -57.68 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 48' ' ' THR . 4.5 mt -52.97 -66.29 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.88 -47.81 1.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -62.15 -59.76 4.59 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.9 mt -46.33 -54.81 8.27 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.99 -60.12 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.4 m -46.35 -58.06 4.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.32 109.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.378 1.049 . . . . 0.0 110.012 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -152.72 99.2 2.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.54 -73.96 0.26 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -44.52 109.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 0.765 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.0 m -149.71 158.24 43.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.44 157.57 8.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 62.73 5.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.461 1.769 . . . . 0.0 110.971 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.7 p -152.31 129.16 10.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.007 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 t -81.28 137.52 35.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -62.54 168.33 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 110.041 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 t -115.87 -59.26 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.85 65.91 0.05 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.59 111.32 0.47 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 0.783 . . . . 0.0 109.943 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 p -169.7 -56.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.054 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.91 -145.79 4.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 173.4 14.58 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.463 1.77 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -39.61 148.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.033 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.4 73.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.623 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.92 153.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt 59.32 91.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.341 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -78.14 160.49 27.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.274 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.416 ' HB3' ' HB ' ' A' ' 17' ' ' VAL . . . -52.82 154.66 4.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.99 -65.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.534 1.807 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.641 ' OE1' HD11 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -46.43 -38.67 9.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 14' ' ' ALA . 84.0 t -68.26 -35.5 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' PRO . 27.4 ttm180 -72.75 -53.22 12.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.534 ' CE1' ' HA3' ' A' ' 46' ' ' GLY . 14.7 m-85 -95.57 25.51 4.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.432 ' CA ' ' O ' ' A' ' 16' ' ' GLU . 1.1 p -56.1 -50.46 70.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -34.48 13.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.0 -51.17 14.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.524 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 75.5 mmm -47.18 -42.14 19.33 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.572 1.17 . . . . 0.0 110.994 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -41.85 86.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.566 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -63.74 -52.36 60.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.299 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 37' ' ' ASN . 10.3 mt -47.98 -60.1 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' CD ' HG12 ' A' ' 32' ' ' VAL . 1.6 mm-40 -45.28 -45.87 12.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.566 ' HB3' ' O ' ' A' ' 25' ' ' CYS . . . -48.89 -50.57 34.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 29.8 mtt -59.64 -28.92 67.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 111.017 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 32' ' ' VAL . . . 128.26 -14.95 6.16 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.534 1.146 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -65.69 73.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 34' ' ' TYR . 35.1 m -69.36 -20.28 24.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.832 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 1.7 m-20 -56.55 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.783 ' CE2' HD12 ' A' ' 38' ' ' LEU . 88.7 t80 -66.68 -65.34 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' TYR . 6.2 t-20 -40.52 -42.89 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.832 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -64.85 -63.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.534 ' HB3' HD13 ' A' ' 26' ' ' LEU . 97.2 m-20 -47.13 -58.58 3.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.783 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -44.3 -60.84 1.74 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 40' ' ' ALA . 52.5 mm-40 -55.2 -62.79 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 44' ' ' THR . . . -40.37 -57.29 1.81 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 45' ' ' ASP . 18.3 mt -45.79 -63.2 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.407 HD11 HD22 ' A' ' 38' ' ' LEU . 44.2 mt -50.0 -42.17 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.37 -27.61 69.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 40' ' ' ALA . 60.3 p -108.15 14.27 25.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 41' ' ' LEU . 20.3 t0 48.17 59.06 4.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.534 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 60.85 77.72 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.572 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -145.35 121.56 10.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.517 ' O ' HD12 ' A' ' 52' ' ' ILE . 2.3 p -76.81 -47.03 22.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.44 -64.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.424 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -52.59 -48.7 66.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -50.88 -57.67 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.517 HD12 ' O ' ' A' ' 48' ' ' THR . 10.0 mt -52.75 -64.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.42 -49.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -61.28 -56.9 15.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.413 HD11 ' OD1' ' A' ' 37' ' ' ASN . 53.9 mt -49.07 -59.98 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -47.0 -56.75 5.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.57 -52.77 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.402 1.064 . . . . 0.0 109.959 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.2 t -109.98 92.31 4.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.078 . . . . 0.0 109.953 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -60.8 -55.34 34.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.55 -123.65 7.97 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 56.65 100.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 0.741 . . . . 0.0 110.985 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.79 95.4 8.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.81 70.37 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 66' ' ' SER . 18.5 Cg_endo -74.95 60.13 5.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.478 1.778 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.4 m 69.36 -64.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 110.032 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 64' ' ' PRO . 1.6 m -167.28 97.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t 45.42 93.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.942 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.3 t -175.72 -58.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.11 60.99 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 111.057 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.14 -58.95 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 0.811 . . . . 0.0 110.016 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.17 153.43 27.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.999 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.38 -160.96 27.03 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.28 40.51 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.492 1.785 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 p -75.56 101.33 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -172.26 125.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.586 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 t -128.13 138.1 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.91 156.02 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -130.29 154.25 47.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.55 154.26 0.91 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HB2' ' CD2' ' A' ' 38' ' ' LEU . 18.1 Cg_endo -75.11 -66.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.461 1.769 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.581 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -43.02 -42.72 3.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.59 -42.17 94.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -63.92 -48.33 77.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 20.3 m-85 -103.74 35.18 2.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 16' ' ' GLU . 11.4 p -67.41 -45.34 76.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -54.0 -27.95 34.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.65 -50.65 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 110.37 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.664 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 55.8 mmm -50.24 -36.09 29.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 111.024 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -51.56 51.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 110.217 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.58 -51.36 69.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 108.268 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -46.44 -53.53 10.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.359 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.49 -55.85 14.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 110.246 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.35 -53.28 5.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.321 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.2 mtt -55.49 -34.12 64.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 132.15 -12.06 5.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -68.96 72.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 111.029 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 34' ' ' TYR . 21.8 m -66.93 -36.95 78.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.709 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -42.01 97.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.664 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 82.4 t80 -78.76 -63.51 1.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.61 -37.03 5.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.709 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -72.06 -63.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -43.66 -55.77 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.705 HD22 HD11 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -43.81 -66.82 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -45.92 -66.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -42.78 -56.23 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 45' ' ' ASP . 7.3 mt -46.14 -62.02 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.705 HD11 HD22 ' A' ' 38' ' ' LEU . 16.4 mt -50.47 -41.54 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -61.38 -25.5 67.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' LEU . 74.4 p -110.67 8.58 22.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 110.388 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' LEU . 5.4 m-20 46.91 74.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.482 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 48.85 76.58 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.495 1.122 . . . . 0.0 111.063 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.77 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -143.55 101.32 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.699 ' O ' HD12 ' A' ' 52' ' ' ILE . 3.4 p -62.65 -64.17 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -41.05 -59.96 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.249 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.77 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -56.82 -49.74 74.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -49.82 -54.0 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 48' ' ' THR . 3.4 mt -54.31 -64.2 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -38.02 -48.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -64.77 -60.46 3.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mt -46.28 -39.94 10.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.19 -56.16 25.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.6 p -60.72 -54.09 49.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.3 p -77.83 89.5 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.988 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -175.76 -58.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.92 91.71 2.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.64 154.28 40.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.783 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.9 m -132.04 155.17 48.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.45 95.64 0.31 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.611 1.194 . . . . 0.0 110.991 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -50.58 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.782 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.2 t 63.16 97.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -155.85 125.11 6.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -163.53 121.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.91 97.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.088 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.46 -147.73 27.22 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -66.88 -58.43 5.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 0.751 . . . . 0.0 110.045 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -159.53 105.27 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 110.006 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.8 160.41 0.29 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 61.74 5.69 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.498 1.789 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.78 159.91 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.947 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -63.64 -62.29 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.587 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.3 m 43.68 87.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.5 134.79 45.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -160.06 171.74 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.41 154.05 0.53 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.3 Cg_endo -74.94 -65.65 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.394 1.734 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.552 ' OE2' HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -43.69 -40.0 3.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.552 HG23 ' OE2' ' A' ' 16' ' ' GLU . 42.3 t -63.51 -42.33 95.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . 7.2 ttm180 -70.17 -41.89 73.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.234 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CE1' ' HD2' ' A' ' 18' ' ' ARG . 18.0 m-85 -106.02 36.56 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLU . 1.2 p -71.09 -56.38 6.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -42.48 -30.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 19' ' ' PHE . 22.3 mp0 -79.19 -55.55 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.092 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.669 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 55.6 mmm -47.17 -37.54 10.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.36 -47.97 74.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.148 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -50.83 67.94 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.11 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -46.99 -50.17 19.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -54.44 -54.67 37.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.8 -49.19 10.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -33.72 69.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 134.02 -15.57 4.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.422 ' CE2' HG12 ' A' ' 52' ' ' ILE . 70.8 m-85 -66.26 73.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.563 0.802 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' TYR . 35.1 m -71.09 -24.62 24.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.697 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -55.59 89.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.669 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 82.0 t80 -67.52 -64.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -41.04 -53.51 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.697 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -56.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -44.04 -58.29 2.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.741 HD22 HD11 ' A' ' 42' ' ' ILE . 0.2 OUTLIER -40.63 -64.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.347 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -47.0 -65.33 0.58 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 44' ' ' THR . . . -41.44 -62.01 0.94 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' ASP . 22.1 mt -40.56 -61.77 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.741 HD11 HD22 ' A' ' 38' ' ' LEU . 38.2 mt -49.62 -44.08 19.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -63.06 -26.47 68.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' LEU . 52.3 p -109.08 16.48 22.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.444 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' LEU . 13.7 m-20 42.81 51.94 5.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.25 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.406 ' HA3' ' CD1' ' A' ' 19' ' ' PHE . . . 66.9 86.61 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.721 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -156.56 94.03 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 0.795 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.762 ' C ' HD12 ' A' ' 52' ' ' ILE . 66.3 p -46.61 -63.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -40.55 -67.04 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.721 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -47.44 -57.02 5.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.62 -56.51 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.762 HD12 ' C ' ' A' ' 48' ' ' THR . 3.9 mt -55.34 -63.6 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -37.37 -45.18 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -67.35 -60.64 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.0 mt -45.43 -60.69 2.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -61.82 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.88 -58.82 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.94 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.14 167.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.975 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -88.84 171.11 10.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.438 1.086 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.65 -117.01 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -63.69 116.1 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.3 m -41.31 127.55 2.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -40.45 100.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.46 1.1 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 67.42 5.97 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.49 1.784 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.0 m 52.43 88.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.1 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.3 p -44.65 116.15 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.029 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.133 . . . . 0.0 110.954 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.94 96.05 3.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 0.741 . . . . 0.0 110.057 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.98 131.78 14.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.94 -114.85 4.54 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.94 111.77 6.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 0.801 . . . . 0.0 109.992 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 p -140.78 116.25 10.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.8 -170.65 39.57 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.126 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 -38.4 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.435 1.755 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t -66.56 130.14 42.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 110.012 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.7 89.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.29 -57.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 42.72 76.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.361 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -137.31 143.43 42.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.16 152.59 1.02 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.708 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.05 -67.25 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.749 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -40.55 -43.63 1.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.17 -45.59 93.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 15' ' ' PRO . 37.9 ttt180 -65.14 -42.03 94.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.118 . . . . 0.0 110.339 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 18.6 m-85 -107.2 41.18 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 110.947 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.42 ' C ' ' N ' ' A' ' 22' ' ' GLU . 1.8 p -75.79 -55.53 5.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -43.85 -27.64 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.542 ' HG2' HG23 ' A' ' 48' ' ' THR . 2.5 mp0 -81.65 -54.62 5.25 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 110.303 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.637 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.2 mmm -46.94 -36.89 8.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -43.21 88.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.79 -47.15 73.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 108.345 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.5 mt -50.83 -51.32 52.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -51.87 -55.22 21.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.97 -52.29 5.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.39 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -34.56 65.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 133.1 -13.47 4.96 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.512 1.133 . . . . 0.0 110.967 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 61.1 m-85 -68.16 73.26 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.548 0.793 . . . . 0.0 111.046 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 25.4 m -67.76 -35.73 73.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 2.3 t-20 -43.84 97.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.637 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 86.5 t80 -75.14 -65.65 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -42.9 -49.64 5.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.8 -66.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.353 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 89.7 m-20 -40.63 -58.77 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -40.37 -66.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -39.7 -55.36 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.51 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -52.58 -57.05 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 45' ' ' ASP . 20.0 mt -44.16 -58.19 3.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.708 HD11 ' CB ' ' A' ' 15' ' ' PRO . 84.2 mt -57.46 -33.81 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -66.41 -26.05 67.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 40' ' ' ALA . 31.1 p -114.19 11.23 17.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER 46.83 54.94 8.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.559 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 73.5 76.43 0.68 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.582 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -149.5 99.24 2.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.345 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.733 ' O ' HD12 ' A' ' 52' ' ' ILE . 6.9 p -60.19 -62.45 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.459 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -41.32 -66.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.177 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.582 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -50.85 -52.6 39.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -46.93 -55.08 8.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 48' ' ' THR . 3.5 mt -54.4 -63.2 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -37.61 -48.66 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -61.05 -62.53 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.9 mt -44.91 -63.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.44 -61.61 1.02 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.4 t -44.98 -58.2 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.946 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.1 m -67.94 103.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.934 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 56.48 92.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.85 -120.57 1.9 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 51.86 95.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 0.762 . . . . 0.0 110.99 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.1 t 57.7 101.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.047 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.09 -79.05 1.3 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.481 1.113 . . . . 0.0 111.069 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.486 1.782 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.9 t -96.77 -58.58 2.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -155.06 143.23 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m 61.07 98.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.602 0.824 . . . . 0.0 110.045 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -114.13 -58.29 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.71 130.49 4.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.1 p -120.45 159.15 25.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.21 98.14 8.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.6 -164.37 12.84 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 105.73 2.14 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.596 1.84 . . . . 0.0 111.01 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.87 156.03 42.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.032 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -67.66 142.55 56.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.615 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.55 -53.52 53.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -27.98 69.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 56.7 162.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.36 154.72 0.79 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.99 -68.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.462 1.77 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' SER . 11.2 tm-20 -40.91 -50.16 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.75 -42.93 82.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.369 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.5 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 14.0 ttt-85 -55.04 -60.97 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.5 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 16.8 m-85 -101.07 38.43 1.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 1.164 . . . . 0.0 111.019 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' GLU . 5.8 p -68.16 -52.34 35.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.55 -26.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.615 ' HG2' HG23 ' A' ' 48' ' ' THR . 3.2 mp0 -82.97 -48.79 10.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.777 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 54.2 mmm -54.33 -32.5 56.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.075 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.51 -37.48 68.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -54.39 13.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 108.276 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 37' ' ' ASN . 16.0 mt -44.53 -48.54 10.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -56.02 -54.25 47.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.95 -46.36 16.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.455 ' HE2' HG12 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -62.4 -30.8 71.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 0.0 110.975 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 128.76 -13.24 6.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -69.51 74.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 0.784 . . . . 0.0 111.033 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 34' ' ' TYR . 19.7 m -69.55 -21.46 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 5.7 t-20 -54.64 90.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.777 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 85.2 t80 -73.98 -67.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.059 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -40.45 -38.08 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.36 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.06 -63.34 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.468 ' HB3' HD13 ' A' ' 26' ' ' LEU . 89.4 m-20 -43.1 -53.47 4.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -48.79 -63.77 1.0 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -46.58 -55.37 7.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 44' ' ' THR . . . -49.88 -55.24 15.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 mt -48.47 -61.76 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.465 ' CD1' HD22 ' A' ' 38' ' ' LEU . 69.7 mt -52.86 -35.84 22.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.24 -24.39 63.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.517 HG23 ' O ' ' A' ' 40' ' ' ALA . 82.1 p -110.88 15.86 21.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 47.7 37.72 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.405 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 76.98 90.41 0.27 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.446 1.091 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -159.46 82.93 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.776 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.615 HG23 ' HG2' ' A' ' 22' ' ' GLU . 2.9 p -41.23 -41.33 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.453 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -53.45 -65.98 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.71 -44.65 73.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.76 -56.25 19.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 48' ' ' THR . 9.1 mt -52.1 -58.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -46.93 -53.62 11.87 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -57.58 -60.64 3.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.2 mt -42.81 -60.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -43.3 -62.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.82 -58.56 3.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.067 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 t -45.46 -61.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.947 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -160.17 -59.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.11 153.63 0.03 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -66.55 164.52 16.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 0.822 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -141.44 90.06 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 158.37 94.8 0.1 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.72 13.61 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.531 1.806 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 t -70.79 -59.29 2.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.956 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.89 140.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 t -56.35 -57.25 13.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 110.012 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.26 127.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.23 -176.33 39.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.076 . . . . 0.0 110.947 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -102.26 166.41 10.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 0.796 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -54.08 114.06 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.31 95.87 1.49 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.127 . . . . 0.0 110.96 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.54 4.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 111.048 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.33 96.63 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 109.943 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -106.68 77.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.544 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.98 82.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tt 49.95 89.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -95.5 161.19 14.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.73 154.41 4.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.714 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.03 -66.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.534 1.807 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -43.48 -40.21 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.4 t -66.18 -44.01 91.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.2 ttt180 -69.05 -43.21 75.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -109.48 48.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.96 -47.81 9.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -49.62 -29.48 7.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HG2' HG23 ' A' ' 48' ' ' THR . 8.6 mp0 -79.39 -54.08 6.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.652 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.3 mmm -47.32 -32.52 4.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -47.69 57.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -62.21 -39.55 93.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 108.293 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.424 HD23 ' HE1' ' A' ' 29' ' ' MET . 91.2 mt -60.6 -62.17 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.93 -44.11 1.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 25' ' ' CYS . . . -53.55 -52.14 60.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.424 ' HE1' HD23 ' A' ' 26' ' ' LEU . 24.5 mtm -55.0 -34.75 63.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.6 -10.27 4.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.086 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -69.18 76.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 0.802 . . . . 0.0 111.021 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 34' ' ' TYR . 28.2 m -75.65 -17.98 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.429 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 3.0 m120 -60.58 84.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.652 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 63.9 t80 -65.25 -63.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -41.71 -49.68 4.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ASN . . . -63.73 -66.02 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 94.1 m-20 -40.6 -56.39 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.421 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -40.31 -67.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -43.48 -53.72 5.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.59 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -48.47 -62.47 1.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 44' ' ' THR . 40.8 mt -41.58 -62.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.714 HD11 ' CB ' ' A' ' 15' ' ' PRO . 88.7 mt -49.58 -39.0 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -62.19 -31.3 71.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.087 . . . . 0.0 109.275 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LEU . 25.6 p -109.95 19.29 19.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 41.49 29.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 44' ' ' THR . . . 95.11 92.72 1.71 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 16.7 t0 -161.13 85.67 0.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.456 0.739 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.591 ' O ' HD12 ' A' ' 52' ' ' ILE . 3.2 p -46.25 -47.53 18.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -50.54 -63.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -55.8 -46.12 78.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.61 -55.89 19.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.591 HD12 ' O ' ' A' ' 48' ' ' THR . 6.5 mt -54.12 -56.35 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -48.33 -51.73 24.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 111.024 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -60.35 -61.66 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.3 mt -44.6 -57.45 3.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -45.68 -60.49 2.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.76 -58.54 3.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.931 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.4 m -56.14 104.47 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 110.0 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -168.03 84.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.11 151.12 26.39 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.04 172.3 7.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.753 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.5 m -47.35 133.59 12.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.974 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -151.64 96.3 0.17 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 111.06 3.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 66' ' ' SER . 0.5 OUTLIER -161.43 94.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 65' ' ' SER . 0.2 OUTLIER 78.87 -58.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -174.94 121.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 0.775 . . . . 0.0 110.014 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -173.16 -58.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.98 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.53 135.94 6.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.445 1.091 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.17 167.17 31.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 0.736 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.4 p -56.95 150.04 17.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.13 91.96 0.2 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.108 . . . . 0.0 111.065 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 143.02 28.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -84.39 -58.09 2.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.037 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -138.95 98.82 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.606 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.58 159.36 43.26 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.532 1.145 . . . . 0.0 109.978 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.14 154.1 42.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -153.29 149.34 27.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' HB3' ' HB ' ' A' ' 17' ' ' VAL . . . -47.72 155.13 0.83 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.785 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.6 Cg_endo -74.93 -66.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.431 1.753 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.634 ' CD ' HD11 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -46.54 -34.96 5.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 14' ' ' ALA . 74.3 t -73.31 -36.44 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' PRO . 27.2 ttt180 -75.3 -42.24 55.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.582 1.176 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.672 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 17.4 m-85 -105.39 31.22 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.64 -49.48 66.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.991 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -52.25 -28.62 19.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -80.27 -50.55 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.309 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.635 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 54.8 mmm -46.69 -36.29 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.3 -51.78 16.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -33.52 62.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 108.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.29 -51.63 50.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 32' ' ' VAL . 2.9 mm-40 -46.63 -50.13 18.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.48 -54.12 6.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.315 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -33.48 63.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.11 -11.45 5.88 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -68.92 75.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' HA ' ' NE2' ' A' ' 27' ' ' GLN . 27.8 m -72.57 -29.8 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -48.36 95.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 76.3 t80 -71.77 -64.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' TYR . 5.9 m-20 -39.87 -57.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.66 -64.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -44.06 -60.77 1.72 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.634 HD11 ' CD ' ' A' ' 16' ' ' GLU . 0.2 OUTLIER -40.47 -59.01 1.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -55.07 -54.78 38.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.534 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -50.02 -55.73 13.55 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD12 ' SD ' ' A' ' 23' ' ' MET . 18.0 mt -45.8 -55.65 6.33 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.785 HD11 ' CB ' ' A' ' 15' ' ' PRO . 48.6 mt -59.04 -27.72 36.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -74.08 -22.37 59.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.9 p -116.03 11.63 15.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.406 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.3 t0 48.8 58.55 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.263 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.672 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 65.79 75.38 0.42 Allowed Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -145.0 121.61 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.651 ' C ' HD12 ' A' ' 52' ' ' ILE . 12.1 p -77.33 -59.42 2.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -42.24 -64.86 0.53 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -48.71 -54.72 13.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.62 -57.61 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.651 HD12 ' C ' ' A' ' 48' ' ' THR . 3.9 mt -49.22 -64.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -40.78 -53.89 2.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -58.22 -64.02 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.6 mt -41.37 -62.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -41.7 -61.51 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.81 -57.7 4.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.931 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.5 t -54.83 123.21 12.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.961 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -58.16 125.97 25.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 110.258 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 170.3 101.84 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.443 1.089 . . . . 0.0 111.019 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.9 t80 52.58 100.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 m -70.63 169.5 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.938 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.84 83.62 0.88 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 172.37 16.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.502 1.79 . . . . 0.0 110.959 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 67' ' ' GLY . 8.4 t -146.28 149.98 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.967 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t 67.34 -71.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' SER . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -165.36 101.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 0.778 . . . . 0.0 109.956 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.84 126.96 21.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.29 -164.12 33.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 p -143.26 100.12 3.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.096 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.69 -53.94 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.85 95.61 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 78.05 3.0 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.567 1.825 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 p -120.95 158.88 26.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.922 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 50.85 91.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.631 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.74 120.48 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.033 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mt -118.26 79.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -128.38 157.52 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.64 153.07 0.81 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.4 Cg_endo -74.92 -67.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 111.051 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' SER . 14.5 tm-20 -41.02 -56.17 2.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 110.24 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -55.29 -38.69 48.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -63.77 -55.53 22.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -111.84 54.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLU . 2.4 p -88.6 -52.97 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -45.87 -28.0 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.24 -54.42 5.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.682 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 46.8 mmm -47.38 -28.33 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 110.975 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.27 -38.89 41.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.442 ' O ' ' HB3' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -67.07 -43.37 82.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 108.284 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 37' ' ' ASN . 21.7 mt -56.48 -62.7 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -38.74 -48.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 25' ' ' CYS . . . -48.48 -54.6 13.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 38.4 mtm -54.89 -30.82 59.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.76 -11.27 5.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.443 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 39.2 m-85 -69.02 78.67 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 0.735 . . . . 0.0 111.04 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' TYR . 21.6 m -73.68 -27.73 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.635 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 85.7 m-20 -50.9 93.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.734 ' CE2' HD12 ' A' ' 38' ' ' LEU . 78.2 t80 -74.77 -65.77 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -42.7 -28.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.251 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -83.53 -66.11 0.93 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 31' ' ' PHE . 94.3 m-20 -41.57 -54.01 3.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.734 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -49.55 -68.13 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -40.88 -50.55 3.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.547 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -56.93 -56.28 23.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 45' ' ' ASP . 31.8 mt -44.66 -60.95 1.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 66.4 mt -50.92 -38.21 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -63.71 -31.64 72.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.3 p -109.74 19.4 19.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.453 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 41' ' ' LEU . 12.1 t0 40.42 50.74 2.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 73.76 80.27 0.48 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.55 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -151.56 92.83 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.708 ' C ' HD12 ' A' ' 52' ' ' ILE . 58.6 p -48.59 -60.32 2.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -40.4 -66.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -48.34 -54.3 14.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.44 -58.0 5.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.09 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.708 HD12 ' C ' ' A' ' 48' ' ' THR . 3.6 mt -52.83 -59.84 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -45.0 -52.63 8.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.986 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -58.85 -62.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 56' ' ' LYS . 20.8 mt -42.67 -63.02 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 55' ' ' LEU . 6.0 mtmt -40.61 -60.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.99 -56.99 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.982 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.94 128.72 31.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.22 130.79 46.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 110.5 -174.94 17.78 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.429 1.081 . . . . 0.0 110.962 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.0 t80 46.89 94.53 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.44 0.729 . . . . 0.0 110.984 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t 65.31 148.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.44 91.88 1.77 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -41.01 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.0 p -134.36 119.98 19.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.99 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.5 m -112.17 130.43 55.91 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 110.952 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -150.31 96.55 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.969 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -179.48 82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.384 1.053 . . . . 0.0 110.031 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.41 64.75 4.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.449 1.093 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.3 t 178.03 80.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.962 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 m -63.7 90.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.983 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.08 75.31 0.4 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 58.88 5.08 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.0 86.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.951 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.458 ' CE1' HE22 ' A' ' 13' ' ' GLN . 8.0 t-160 -149.44 122.94 9.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.651 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 m -131.38 145.87 52.02 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.536 1.147 . . . . 0.0 109.947 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mt 62.98 103.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.458 HE22 ' CE1' ' A' ' 10' ' ' HIS . 2.7 tp60 -90.14 137.85 32.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.42 154.7 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.3 Cg_endo -74.89 -74.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.44 1.758 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.497 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -38.89 -41.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.239 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.07 -51.21 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.557 ' HD3' ' CZ ' ' A' ' 19' ' ' PHE . 9.5 ttt180 -56.01 -57.21 13.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.248 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' HD3' ' A' ' 18' ' ' ARG . 11.9 m-85 -97.81 57.63 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 111.047 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -89.92 -55.57 3.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.995 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.05 -34.84 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.237 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -73.8 -59.87 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.324 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.666 ' CE ' ' CD1' ' A' ' 34' ' ' TYR . 44.7 mmm -42.15 -40.51 2.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.76 -43.17 94.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -67.16 -46.59 73.58 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.414 1.071 . . . . 0.0 108.285 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 85.4 mt -50.46 -54.55 21.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.212 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -48.92 -56.75 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.8 -49.77 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -34.62 69.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 135.05 -15.66 4.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -67.16 75.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 111.045 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' TYR . 31.8 m -71.85 -28.01 29.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.463 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 5.1 m120 -53.37 91.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.666 ' CD1' ' CE ' ' A' ' 23' ' ' MET . 77.6 t80 -71.19 -64.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -42.19 -41.64 2.76 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -69.02 -66.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.223 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 94.6 m-20 -40.68 -58.79 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.464 HD21 ' HB2' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -40.19 -66.35 0.32 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -44.5 -46.6 9.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 43' ' ' ALA . . . -57.87 -55.82 29.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 45' ' ' ASP . 28.4 mt -46.88 -62.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 89.3 mt -48.5 -42.91 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 40' ' ' ALA . . . -60.23 -31.4 70.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 41' ' ' LEU . 60.9 p -107.29 15.6 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.384 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' LEU . 19.0 t0 40.18 53.77 2.79 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.497 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 74.51 83.89 0.35 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.501 1.125 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -159.92 114.78 2.33 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.723 ' O ' HD12 ' A' ' 52' ' ' ILE . 11.5 p -71.37 -60.09 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.413 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -41.55 -66.83 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -51.19 -53.26 36.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 47' ' ' ASP . . . -46.57 -54.06 10.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.723 HD12 ' O ' ' A' ' 48' ' ' THR . 3.8 mt -55.82 -62.13 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -40.1 -48.87 2.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -61.06 -59.86 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 mt -47.27 -63.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.46 -61.46 1.2 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.33 -58.39 5.18 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.2 m -46.09 -61.74 1.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.94 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -174.46 128.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.92 -152.12 9.58 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -113.81 167.35 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 0.744 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 m 55.73 167.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.061 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 125.69 157.34 9.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 82.13 2.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -163.72 152.87 14.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.002 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.17 156.94 36.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.023 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.443 1.089 . . . . 0.0 111.04 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -168.74 -58.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -124.61 133.35 53.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.981 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.07 96.16 0.11 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m 58.52 162.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 110.048 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 m -129.67 134.01 47.42 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.13 -84.8 0.09 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 77.93 3.01 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.584 1.834 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -63.07 -59.7 4.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -114.76 164.79 13.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.632 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.2 p -111.88 90.99 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 110.022 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -153.13 101.78 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -119.61 158.3 26.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.04 152.56 2.77 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.386 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 18' ' ' ARG . 18.2 Cg_endo -74.94 -63.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.422 1.748 . . . . 0.0 110.946 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.476 ' HB3' HD11 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -44.67 -39.37 5.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.2 t -70.23 -38.12 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -66.4 -61.16 2.15 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.476 ' CD1' ' CA ' ' A' ' 46' ' ' GLY . 7.2 m-85 -97.46 57.64 1.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.0 -54.34 4.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -45.15 -33.75 2.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.546 ' HG2' HG23 ' A' ' 48' ' ' THR . 4.3 mp0 -73.71 -57.02 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.28 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.715 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 41.2 mmm -44.03 -40.86 5.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -41.32 96.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.108 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.37 -35.51 81.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.331 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 23' ' ' MET . 65.8 mt -61.16 -63.59 1.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -38.97 -52.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.8 -55.98 3.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.8 mtt -55.3 -33.65 63.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 130.3 -10.66 5.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.421 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 64.6 m-85 -69.5 74.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.474 0.749 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.7 m -65.87 -39.37 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.449 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 19.3 m-80 -40.98 97.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.715 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 46.5 t80 -82.23 -61.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.57 1.169 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.463 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 1.6 t-20 -45.55 -26.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.35 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.96 -66.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.588 ' HB3' HD13 ' A' ' 26' ' ' LEU . 96.5 m-20 -41.01 -53.27 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.494 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -51.29 -62.2 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.463 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 14.9 mm-40 -44.64 -35.94 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' ASN . . . -71.23 -54.55 10.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 47' ' ' ASP . 19.3 mt -46.52 -57.76 4.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.432 HD11 ' CB ' ' A' ' 15' ' ' PRO . 81.2 mt -51.07 -44.63 28.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.44 -24.39 67.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 40' ' ' ALA . 78.1 p -110.27 17.86 20.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.438 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.3 t0 41.24 41.91 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.476 ' CA ' ' CD1' ' A' ' 19' ' ' PHE . . . 83.11 91.25 0.67 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.155 . . . . 0.0 111.066 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.491 ' H ' HD23 ' A' ' 41' ' ' LEU . 2.2 t70 -165.83 111.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.366 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.613 ' O ' HD12 ' A' ' 52' ' ' ILE . 8.9 p -69.02 -51.45 38.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.402 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -44.75 -65.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.38 -50.01 66.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.28 -54.06 15.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 48' ' ' THR . 5.0 mt -57.09 -58.79 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -47.53 -45.91 27.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.001 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -63.1 -57.33 10.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 109.342 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.9 mt -48.78 -60.01 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.82 -61.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -58.26 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 62.2 m -56.4 146.43 24.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -132.61 151.22 52.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.24 -171.59 36.59 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 54.94 169.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 0.716 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.2 t -128.45 94.7 3.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.071 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.85 97.11 0.77 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.538 1.149 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 103.39 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.517 1.798 . . . . 0.0 110.976 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.7 p -178.18 95.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.3 p -65.41 117.82 8.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.08 86.25 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 0.716 . . . . 0.0 109.955 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t 53.72 100.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.06 87.89 1.66 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.545 1.153 . . . . 0.0 111.073 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -151.68 -58.48 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 110.022 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 p -143.28 121.17 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.015 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.59 173.47 55.26 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.431 1.082 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 98.8 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.431 1.753 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.2 p -110.04 110.39 21.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.972 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 45.97 63.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.625 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.5 m 60.99 159.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.961 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.52 172.64 13.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -59.15 173.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.349 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.879 ' HB3' ' HB ' ' A' ' 17' ' ' VAL . . . 59.41 154.45 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.523 ' HB2' HD21 ' A' ' 38' ' ' LEU . 18.4 Cg_endo -75.03 -74.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.527 1.804 . . . . 0.0 111.016 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' CB ' ' OH ' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -49.54 -24.91 2.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.879 ' HB ' ' HB3' ' A' ' 14' ' ' ALA . 38.8 t -75.12 -34.53 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 15' ' ' PRO . 29.9 ttm180 -81.61 -33.29 31.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.429 ' HB3' HD22 ' A' ' 41' ' ' LEU . 31.0 m-85 -108.43 30.3 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -64.23 -55.45 21.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.952 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -36.52 3.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.464 ' HG2' HG23 ' A' ' 48' ' ' THR . 2.0 mp0 -73.61 -59.81 2.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.697 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 55.6 mmm -41.78 -41.74 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -47.25 74.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.256 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.51 -46.66 89.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.1 mt -53.82 -48.54 69.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.51 -49.2 68.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.76 -52.0 15.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.244 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.0 mtm -56.66 -34.03 66.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 111.003 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.422 ' O ' HG13 ' A' ' 32' ' ' VAL . . . 135.01 -15.61 4.27 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.546 1.154 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -65.52 78.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 30' ' ' GLY . 32.0 m -76.94 -20.05 14.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.105 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.677 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 1.2 t-20 -57.67 91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.697 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 74.4 t80 -72.71 -61.77 1.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -45.75 -35.72 4.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.677 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -76.63 -64.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 93.4 m-20 -43.67 -53.65 5.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.566 HD22 HD11 ' A' ' 42' ' ' ILE . 0.4 OUTLIER -45.35 -62.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -49.77 -53.98 21.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 44' ' ' THR . . . -48.4 -53.53 17.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 45' ' ' ASP . 8.7 mt -49.97 -61.04 2.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.566 HD11 HD22 ' A' ' 38' ' ' LEU . 20.8 mt -51.04 -40.24 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.75 -25.03 67.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 40' ' ' ALA . 67.6 p -110.48 12.29 22.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' LEU . 2.4 t70 42.64 36.05 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 86.92 98.47 0.83 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -174.27 87.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.464 HG23 ' HG2' ' A' ' 22' ' ' GLU . 2.3 p -44.66 -52.33 8.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.373 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -41.1 -66.99 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.75 -54.84 32.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.23 -46.29 6.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.589 1.181 . . . . 0.0 109.378 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.1 mt -63.16 -54.11 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -54.69 -45.94 74.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -65.23 -57.81 7.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.4 mt -47.89 -57.72 5.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -61.6 1.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m -48.56 -57.2 6.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.31 112.21 2.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.22 95.67 9.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.02 119.48 4.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 47.36 97.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 56.0 p -162.36 141.09 9.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.17 157.28 12.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 119.82 5.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.033 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.6 m 58.19 98.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 110.051 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.0 m -138.16 94.61 2.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.061 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.938 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -75.76 100.75 4.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -92.97 96.74 10.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.973 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.61 -121.88 3.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.469 1.105 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 m 61.58 156.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -149.42 134.13 17.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.33 97.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.529 1.143 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 73.68 4.25 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.463 1.77 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -155.79 132.3 10.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.06 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -123.56 124.39 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.616 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.4 t -178.56 -54.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 109.999 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' HG12 ' A' ' 17' ' ' VAL . 62.8 mt -121.9 -171.57 2.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 6.2 tt0 64.44 139.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.958 ' HB3' ' HB ' ' A' ' 17' ' ' VAL . . . 57.99 159.02 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.657 ' CB ' HD11 ' A' ' 42' ' ' ILE . 18.6 Cg_endo -74.9 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.687 ' CD ' HD11 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -52.54 -33.24 44.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.958 ' HB ' ' HB3' ' A' ' 14' ' ' ALA . 37.3 t -69.2 -19.62 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -96.5 -47.22 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CE1' ' HA3' ' A' ' 46' ' ' GLY . 19.9 m-85 -92.86 27.12 2.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -56.24 24.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -46.11 -33.47 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.24 -54.04 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.653 ' HE3' ' CD1' ' A' ' 34' ' ' TYR . 62.8 mmm -47.22 -33.29 5.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.98 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -45.48 47.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.592 1.182 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.38 -46.82 88.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 108.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.7 mt -52.23 -50.93 61.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' GLY . 0.0 OUTLIER -50.72 -55.49 16.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.383 1.052 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.23 -53.17 5.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.604 1.19 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 27.5 mtm -56.34 -33.52 65.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 130.85 -11.56 5.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -69.93 74.48 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 0.784 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' TYR . 18.2 m -68.23 -36.7 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -41.97 97.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.653 ' CD1' ' HE3' ' A' ' 23' ' ' MET . 74.8 t80 -77.09 -63.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -43.0 -45.36 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 33' ' ' ASN . . . -63.76 -61.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 33' ' ' ASN . 97.9 m-20 -46.03 -55.48 6.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.687 HD11 ' CD ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -44.77 -60.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -56.66 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 44' ' ' THR . . . -45.2 -52.99 8.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 44' ' ' THR . 14.3 mt -50.93 -62.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.657 HD11 ' CB ' ' A' ' 15' ' ' PRO . 67.8 mt -50.2 -43.51 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.88 -25.23 67.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 40' ' ' ALA . 77.0 p -109.18 15.05 23.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 t0 48.24 38.22 9.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 19' ' ' PHE . . . 80.46 91.66 0.47 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.614 ' HB3' ' HB3' ' A' ' 50' ' ' ALA . 14.6 t0 -162.9 120.38 1.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.585 0.815 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 p -72.17 -49.23 37.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -53.33 -59.05 5.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . . . -54.46 -45.62 73.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.85 -60.01 4.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.3 mt -49.22 -50.02 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.457 1.098 . . . . 0.0 109.242 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -53.89 52.95 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' HE2' HG22 ' A' ' 44' ' ' THR . 10.1 mttp -57.43 -53.67 55.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.6 mt -51.13 -61.51 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.17 -62.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.251 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.84 -59.06 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.64 -60.91 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -149.08 151.87 35.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 157.98 87.44 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -64.9 129.87 41.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.2 117.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.23 76.27 0.07 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 135.94 19.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.465 1.771 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 p -174.2 111.74 0.16 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.096 . . . . 0.0 109.979 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.23 138.0 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.416 1.072 . . . . 0.0 111.015 -179.97 . . . . . . . . 0 0 . 1 stop_ save_